CID 391370

Nsc690405

Structural Information

Molecular Formula
C19H15N3O4S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15N3O4S2/c23-27(24,15-9-3-1-4-10-15)21-19-20-17-13-7-8-14-18(17)22(19)28(25,26)16-11-5-2-6-12-16/h1-14H,(H,20,21)
InChIKey
FSOPEDWBLVBRSG-UHFFFAOYSA-N
Compound name
N-[1-(benzenesulfonyl)benzimidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.05038 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.05766 196.4
[M+Na]+ 436.03960 207.1
[M-H]- 412.04310 205.2
[M+NH4]+ 431.08420 207.0
[M+K]+ 452.01354 200.0
[M+H-H2O]+ 396.04764 188.7
[M+HCOO]- 458.04858 209.2
[M+CH3COO]- 472.06423 206.3
[M+Na-2H]- 434.02505 203.5
[M]+ 413.04983 201.6
[M]- 413.05093 201.6
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.