CID 389585

Nsc685890

Structural Information

Molecular Formula
C23H15N3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54
InChI
InChI=1S/C23H15N3O4S/c27-22-16-10-4-5-11-17(16)23(28)21(26-14-24-18-12-6-7-13-19(18)26)20(22)25-31(29,30)15-8-2-1-3-9-15/h1-14,25H
InChIKey
ZOVRMNJPPKPBEM-UHFFFAOYSA-N
Compound name
N-[3-(benzimidazol-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.07834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.08562 201.0
[M+Na]+ 452.06756 211.8
[M-H]- 428.07106 211.0
[M+NH4]+ 447.11216 211.6
[M+K]+ 468.04150 204.7
[M+H-H2O]+ 412.07560 191.6
[M+HCOO]- 474.07654 217.0
[M+CH3COO]- 488.09219 210.9
[M+Na-2H]- 450.05301 206.2
[M]+ 429.07779 205.7
[M]- 429.07889 205.7
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.