PubChemLite - N-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide (C24H38N4O4)

Structural Information

Molecular Formula

SMILES

CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C2(CCC2)C=O)NC(=O)C3CC3)NC(=O)NC4CCCC4

InChI

InChI=1S/C24H38N4O4/c1-15(2)19(27-23(32)25-17-6-3-4-7-17)22(31)28-13-10-18(26-21(30)16-8-9-16)20(28)24(14-29)11-5-12-24/h14-20H,3-13H2,1-2H3,(H,26,30)(H2,25,27,32)/t18-,19-,20-/m0/s1

InChIKey

GCDRFILPPBOJLM-UFYCRDLUSA-N

Compound name

N-[(2R,3S)-1-[(2S)-2-(cyclopentylcarbamoylamino)-3-methylbutanoyl]-2-(1-formylcyclobutyl)pyrrolidin-3-yl]cyclopropanecarboxamide

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]+	447.29658	204.2
[M+Na]+	469.27852	200.3
[M-H]-	445.28202	213.1
[M+NH4]+	464.32312	204.3
[M+K]+	485.25246	201.0
[M+H-H2O]+	429.28656	192.6
[M+HCOO]-	491.28750	216.9
[M+CH3COO]-	505.30315	239.2
[M+Na-2H]-	467.26397	195.7
[M]+	446.28875	208.5
[M]-	446.28985	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.29658

204.2

[M+Na]+

469.27852

200.3

[M-H]-

445.28202

213.1

[M+NH4]+

464.32312

204.3

[M+K]+

485.25246

201.0

[M+H-H2O]+

429.28656

192.6

[M+HCOO]-

491.28750

216.9

[M+CH3COO]-

505.30315

239.2

[M+Na-2H]-

467.26397

195.7

[M]+

446.28875

208.5

[M]-

446.28985

208.5

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

N-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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