PubChemLite - Sar107375 (C24H30ClN5O5S2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C2=CC=C(S2)Cl)C(=O)N3CCN(CC3)C)N4CCCC4=O

InChI

InChI=1S/C24H30ClN5O5S2/c1-16-18(30-10-4-7-22(30)31)5-3-6-20(16)37(34,35)27-17(24(33)29-13-11-28(2)12-14-29)15-26-23(32)19-8-9-21(25)36-19/h3,5-6,8-9,17,27H,4,7,10-15H2,1-2H3,(H,26,32)/t17-/m0/s1

InChIKey

CYVVCTRDWISRAC-KRWDZBQOSA-N

Compound name

5-chloro-N-[(2S)-2-[[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-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]+	568.14498	222.1
[M+Na]+	590.12692	227.5
[M+NH4]+	585.17152	224.9
[M+K]+	606.10086	224.8
[M-H]-	566.13042	224.5
[M+Na-2H]-	588.11237	225.5
[M]+	567.13715	224.0
[M]-	567.13825	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.14498

222.1

[M+Na]+

590.12692

227.5

[M+NH4]+

585.17152

224.9

[M+K]+

606.10086

224.8

[M-H]-

566.13042

224.5

[M+Na-2H]-

588.11237

225.5

[M]+

567.13715

224.0

[M]-

567.13825

224.0

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

Sar107375

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe