CID 359491

Nsc620469

Structural Information

Molecular Formula
C18H15ClN4O3S
SMILES
C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C18H15ClN4O3S/c19-12-3-1-4-14(11-12)22-17-16(5-2-10-21-17)18(24)23-13-6-8-15(9-7-13)27(20,25)26/h1-11H,(H,21,22)(H,23,24)(H2,20,25,26)
InChIKey
KMEKPEIQIFXHSV-UHFFFAOYSA-N
Compound name
2-(3-chloroanilino)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.05533 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06261 189.5
[M+Na]+ 425.04455 197.0
[M-H]- 401.04805 197.8
[M+NH4]+ 420.08915 198.8
[M+K]+ 441.01849 189.8
[M+H-H2O]+ 385.05259 180.7
[M+HCOO]- 447.05353 203.8
[M+CH3COO]- 461.06918 222.9
[M+Na-2H]- 423.03000 194.1
[M]+ 402.05478 191.5
[M]- 402.05588 191.5
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.