CID 359493

Nsc620471

Structural Information

Molecular Formula
C21H16ClN5O3S2
SMILES
C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C21H16ClN5O3S2/c22-14-3-1-4-16(13-14)25-19-18(5-2-10-23-19)20(28)26-15-6-8-17(9-7-15)32(29,30)27-21-24-11-12-31-21/h1-13H,(H,23,25)(H,24,27)(H,26,28)
InChIKey
VTRIFQNGOSSROZ-UHFFFAOYSA-N
Compound name
2-(3-chloroanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.0383 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.04558 206.5
[M+Na]+ 508.02752 214.2
[M-H]- 484.03102 216.9
[M+NH4]+ 503.07212 213.3
[M+K]+ 524.00146 205.6
[M+H-H2O]+ 468.03556 197.8
[M+HCOO]- 530.03650 216.4
[M+CH3COO]- 544.05215 214.4
[M+Na-2H]- 506.01297 210.7
[M]+ 485.03775 210.3
[M]- 485.03885 210.3
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.