PubChemLite - 5-chloro-n-{(3s)-1-[(2s)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1h-indole-2-sulfonamide (C19H23ClN4O5S)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H23ClN4O5S/c1-12(18(25)23-6-8-29-9-7-23)24-5-4-16(19(24)26)22-30(27,28)17-11-13-10-14(20)2-3-15(13)21-17/h2-3,10-12,16,21-22H,4-9H2,1H3/t12-,16-/m0/s1

InChIKey

BHNMMFGOJRIAEZ-LRDDRELGSA-N

Compound name

5-chloro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-1H-indole-2-sulfonamide

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]+	455.11504	203.0
[M+Na]+	477.09698	208.9
[M-H]-	453.10048	209.6
[M+NH4]+	472.14158	211.1
[M+K]+	493.07092	205.1
[M+H-H2O]+	437.10502	196.6
[M+HCOO]-	499.10596	206.4
[M+CH3COO]-	513.12161	224.4
[M+Na-2H]-	475.08243	199.9
[M]+	454.10721	204.8
[M]-	454.10831	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.11504

203.0

[M+Na]+

477.09698

208.9

[M-H]-

453.10048

209.6

[M+NH4]+

472.14158

211.1

[M+K]+

493.07092

205.1

[M+H-H2O]+

437.10502

196.6

[M+HCOO]-

499.10596

206.4

[M+CH3COO]-

513.12161

224.4

[M+Na-2H]-

475.08243

199.9

[M]+

454.10721

204.8

[M]-

454.10831

204.8

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

5-chloro-n-{(3s)-1-[(2s)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1h-indole-2-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe