CID 397057

Nsc704339

Structural Information

Molecular Formula
C13H11ClN4O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(N2)C=CC=N3
InChI
InChI=1S/C13H11ClN4O2S2/c1-7-5-11(10(21)6-8(7)14)22(19,20)18-13-16-9-3-2-4-15-12(9)17-13/h2-6,21H,1H3,(H2,15,16,17,18)
InChIKey
WLWSYRALDJIRQB-UHFFFAOYSA-N
Compound name
4-chloro-N-(1H-imidazo[4,5-b]pyridin-2-yl)-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.0012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00848 175.8
[M+Na]+ 376.99042 189.2
[M-H]- 352.99392 179.9
[M+NH4]+ 372.03502 189.1
[M+K]+ 392.96436 180.8
[M+H-H2O]+ 336.99846 170.1
[M+HCOO]- 398.99940 182.5
[M+CH3COO]- 413.01505 186.7
[M+Na-2H]- 374.97587 179.2
[M]+ 354.00065 182.2
[M]- 354.00175 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.