CID 1070159

16082-64-7

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKey
NIOOKXAMJQVDGB-UHFFFAOYSA-N
Compound name
2-amino-N-quinolin-8-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

29
Patents

299.07285 Da
Monoisotopic Mass

1.6
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

patents stripe