CID 102171410

Dtxsid301225682

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
CC1=NC2=C(C=CC=C2NS(=O)(=O)C3=CC=C(C=C3)N)C=C1
InChI
InChI=1S/C16H15N3O2S/c1-11-5-6-12-3-2-4-15(16(12)18-11)19-22(20,21)14-9-7-13(17)8-10-14/h2-10,19H,17H2,1H3
InChIKey
KNNBCKCRMMYSKD-UHFFFAOYSA-N
Compound name
4-amino-N-(2-methylquinolin-8-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0885 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 169.4
[M+Na]+ 336.07772 178.5
[M-H]- 312.08122 175.7
[M+NH4]+ 331.12232 183.4
[M+K]+ 352.05166 172.4
[M+H-H2O]+ 296.08576 161.3
[M+HCOO]- 358.08670 187.0
[M+CH3COO]- 372.10235 208.0
[M+Na-2H]- 334.06317 176.2
[M]+ 313.08795 170.5
[M]- 313.08905 170.5
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.