PubChemLite - 6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide (C21H24ClN3O5S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1

InChIKey

ICLOZQFWTRAYPX-LIRRHRJNSA-N

Compound name

6-chloro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-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]+	466.11980	205.7
[M+Na]+	488.10174	210.3
[M-H]-	464.10524	213.4
[M+NH4]+	483.14634	213.1
[M+K]+	504.07568	206.6
[M+H-H2O]+	448.10978	198.0
[M+HCOO]-	510.11072	208.8
[M+CH3COO]-	524.12637	230.1
[M+Na-2H]-	486.08719	204.0
[M]+	465.11197	207.1
[M]-	465.11307	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.11980

205.7

[M+Na]+

488.10174

210.3

[M-H]-

464.10524

213.4

[M+NH4]+

483.14634

213.1

[M+K]+

504.07568

206.6

[M+H-H2O]+

448.10978

198.0

[M+HCOO]-

510.11072

208.8

[M+CH3COO]-

524.12637

230.1

[M+Na-2H]-

486.08719

204.0

[M]+

465.11197

207.1

[M]-

465.11307

207.1

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

6-chloro-n-{(3s)-1-[(1s)-1-methyl-2-(4-morpholinyl)-2-oxo ethyl]-2-oxo-3-pyrrolidinyl}-2-naphthalenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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