CID 252540

Nsc74584

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
C1=CC2=C(C=CC=N2)C(=C1)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N3O2S/c16-11-6-8-12(9-7-11)21(19,20)18-15-5-1-4-14-13(15)3-2-10-17-14/h1-10,18H,16H2
InChIKey
CHQKMFKUACLZCC-UHFFFAOYSA-N
Compound name
4-amino-N-quinolin-5-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07285 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 164.3
[M+Na]+ 322.06207 173.0
[M-H]- 298.06557 170.3
[M+NH4]+ 317.10667 178.5
[M+K]+ 338.03601 167.0
[M+H-H2O]+ 282.07011 156.2
[M+HCOO]- 344.07105 182.3
[M+CH3COO]- 358.08670 175.5
[M+Na-2H]- 320.04752 172.3
[M]+ 299.07230 164.6
[M]- 299.07340 164.6
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.