CID 3040402

3-pyridinesulfonamide, 4-((3-chloro-2-methylphenyl)amino)-

Structural Information

Molecular Formula
C12H12ClN3O2S
SMILES
CC1=C(C=CC=C1Cl)NC2=C(C=NC=C2)S(=O)(=O)N
InChI
InChI=1S/C12H12ClN3O2S/c1-8-9(13)3-2-4-10(8)16-11-5-6-15-7-12(11)19(14,17)18/h2-7H,1H3,(H,15,16)(H2,14,17,18)
InChIKey
GQGIQMXECDIIFS-UHFFFAOYSA-N
Compound name
4-(3-chloro-2-methylanilino)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.03387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.041146 163.4
[M+Na]+ 320.023088 173.3
[M-H]- 296.026594 169.2
[M+NH4]+ 315.067693 178.1
[M+K]+ 335.997028 166.9
[M+H-H2O]+ 280.031130 156.5
[M+HCOO]- 342.032071 177.9
[M+CH3COO]- 356.047721 201.9
[M+Na-2H]- 318.008536 167.7
[M]+ 297.03332142 166.1
[M]- 297.03441858 166.1
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.