PubChemLite - Idp-73152 mesylate (C28H41F3N4O4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[C@@H](C(=O)N1CCC(CC1)NCC2=CC(=C(C=C2F)F)F)NC(=O)[C@H](CC3CCCC3)CN(C=O)O

InChI

InChI=1S/C28H41F3N4O4/c1-28(2,3)25(33-26(37)20(16-35(39)17-36)12-18-6-4-5-7-18)27(38)34-10-8-21(9-11-34)32-15-19-13-23(30)24(31)14-22(19)29/h13-14,17-18,20-21,25,32,39H,4-12,15-16H2,1-3H3,(H,33,37)/t20-,25-/m1/s1

InChIKey

SCVZUKPARGIVBE-CJFMBICVSA-N

Compound name

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide

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]+	555.31528	231.5
[M+Na]+	577.29722	228.5
[M-H]-	553.30072	233.5
[M+NH4]+	572.34182	234.5
[M+K]+	593.27116	225.8
[M+H-H2O]+	537.30526	219.5
[M+HCOO]-	599.30620	239.5
[M+CH3COO]-	613.32185	260.7
[M+Na-2H]-	575.28267	221.6
[M]+	554.30745	223.3
[M]-	554.30855	223.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.31528

231.5

[M+Na]+

577.29722

228.5

[M-H]-

553.30072

233.5

[M+NH4]+

572.34182

234.5

[M+K]+

593.27116

225.8

[M+H-H2O]+

537.30526

219.5

[M+HCOO]-

599.30620

239.5

[M+CH3COO]-

613.32185

260.7

[M+Na-2H]-

575.28267

221.6

[M]+

554.30745

223.3

[M]-

554.30855

223.3

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

Idp-73152 mesylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe