CID 389584

Nsc685889

Structural Information

Molecular Formula
C19H13N3O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4
InChI
InChI=1S/C19H13N3O4S/c23-18-14-8-4-5-9-15(14)19(24)17(22-11-10-20-12-22)16(18)21-27(25,26)13-6-2-1-3-7-13/h1-12,21H
InChIKey
MAIPCAOTPKHYEC-UHFFFAOYSA-N
Compound name
N-(3-imidazol-1-yl-1,4-dioxonaphthalen-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.06268 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06996 187.2
[M+Na]+ 402.05190 197.1
[M-H]- 378.05540 196.3
[M+NH4]+ 397.09650 199.0
[M+K]+ 418.02584 190.9
[M+H-H2O]+ 362.05994 178.5
[M+HCOO]- 424.06088 203.7
[M+CH3COO]- 438.07653 197.8
[M+Na-2H]- 400.03735 191.2
[M]+ 379.06213 190.2
[M]- 379.06323 190.2
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.