PubChemLite - N-[1-[[1-[4-benzyloxy-2-[(1-ethyl-3,3,3-trifluoro-2-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide (C32H41F3N6O6)

Structural Information

Molecular Formula

SMILES

CCC(C(=O)C(F)(F)F)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C2=NC=CN=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C32H41F3N6O6/c1-6-22(27(42)32(33,34)35)38-29(44)24-14-21(47-17-20-10-8-7-9-11-20)16-41(24)31(46)26(19(4)5)40-30(45)25(18(2)3)39-28(43)23-15-36-12-13-37-23/h7-13,15,18-19,21-22,24-26H,6,14,16-17H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)

InChIKey

PSUCIGILXXGIST-UHFFFAOYSA-N

Compound name

N-[3-methyl-1-[[3-methyl-1-oxo-1-[4-phenylmethoxy-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	663.31124	245.8
[M+Na]+	685.29318	240.8
[M-H]-	661.29668	246.5
[M+NH4]+	680.33778	241.1
[M+K]+	701.26712	241.2
[M+H-H2O]+	645.30122	233.2
[M+HCOO]-	707.30216	250.8
[M+CH3COO]-	721.31781	278.4
[M+Na-2H]-	683.27863	236.1
[M]+	662.30341	242.3
[M]-	662.30451	242.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

663.31124

245.8

[M+Na]+

685.29318

240.8

[M-H]-

661.29668

246.5

[M+NH4]+

680.33778

241.1

[M+K]+

701.26712

241.2

[M+H-H2O]+

645.30122

233.2

[M+HCOO]-

707.30216

250.8

[M+CH3COO]-

721.31781

278.4

[M+Na-2H]-

683.27863

236.1

[M]+

662.30341

242.3

[M]-

662.30451

242.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[1-[[1-[4-benzyloxy-2-[(1-ethyl-3,3,3-trifluoro-2-oxo-propyl)carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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