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 164.5
[M+Na]+ 320.02309 177.7
[M+NH4]+ 315.06769 172.0
[M+K]+ 335.99703 169.4
[M-H]- 296.02659 168.3
[M+Na-2H]- 318.00854 172.4
[M]+ 297.03332 168.1
[M]- 297.03442 168.1
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.