CID 393937

Nsc696909

Structural Information

Molecular Formula
C16H13ClN4O2S2
SMILES
CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC3=NC4=CC=CC=C4N32
InChI
InChI=1S/C16H13ClN4O2S2/c1-9-6-14(13(24)7-10(9)17)25(22,23)20-16-18-8-15-19-11-4-2-3-5-12(11)21(15)16/h2-7,24H,8H2,1H3,(H,18,20)
InChIKey
PZPKZGOUEZNQNG-UHFFFAOYSA-N
Compound name
4-chloro-N-(3H-imidazo[1,5-a]benzimidazol-1-yl)-5-methyl-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.01685 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02413 190.4
[M+Na]+ 415.00607 205.5
[M-H]- 391.00957 197.6
[M+NH4]+ 410.05067 206.2
[M+K]+ 430.98001 198.3
[M+H-H2O]+ 375.01411 185.7
[M+HCOO]- 437.01505 198.6
[M+CH3COO]- 451.03070 202.0
[M+Na-2H]- 412.99152 192.3
[M]+ 392.01630 200.4
[M]- 392.01740 200.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.