CID 3040402

Jdl 156

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]+ 298.04115 163.4
[M+Na]+ 320.02309 173.3
[M-H]- 296.02659 169.2
[M+NH4]+ 315.06769 178.1
[M+K]+ 335.99703 166.9
[M+H-H2O]+ 280.03113 156.5
[M+HCOO]- 342.03207 177.9
[M+CH3COO]- 356.04772 201.9
[M+Na-2H]- 318.00854 167.7
[M]+ 297.03332 166.1
[M]- 297.03442 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.