CID 4778160

4-amino-n-(6-methylpyridin-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H13N3O2S
SMILES
CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H13N3O2S/c1-9-3-2-4-12(14-9)15-18(16,17)11-7-5-10(13)6-8-11/h2-8H,13H2,1H3,(H,14,15)
InChIKey
ZGBQIFSPFDBQEW-UHFFFAOYSA-N
Compound name
4-amino-N-(6-methylpyridin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

263.07285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08013 156.6
[M+Na]+ 286.06207 165.2
[M-H]- 262.06557 162.2
[M+NH4]+ 281.10667 171.6
[M+K]+ 302.03601 160.2
[M+H-H2O]+ 246.07011 148.8
[M+HCOO]- 308.07105 175.8
[M+CH3COO]- 322.08670 197.0
[M+Na-2H]- 284.04752 162.2
[M]+ 263.07230 156.9
[M]- 263.07340 156.9
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