CID 5276252

5-[2-(3-chloro-4-methyl-anilino)thiazol-5-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
CC1=C(C=C(C=C1)NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N)Cl
InChI
InChI=1S/C17H14ClN3O2S/c1-9-2-4-11(7-13(9)18)21-17-20-8-15(24-17)10-3-5-14(22)12(6-10)16(19)23/h2-8,22H,1H3,(H2,19,23)(H,20,21)
InChIKey
VXYPDQJCIVBSBD-UHFFFAOYSA-N
Compound name
5-[2-(3-chloro-4-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.04953 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.05681 181.1
[M+Na]+ 382.03875 190.8
[M-H]- 358.04225 189.2
[M+NH4]+ 377.08335 194.6
[M+K]+ 398.01269 183.2
[M+H-H2O]+ 342.04679 174.0
[M+HCOO]- 404.04773 195.2
[M+CH3COO]- 418.06338 191.9
[M+Na-2H]- 380.02420 179.8
[M]+ 359.04898 184.1
[M]- 359.05008 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.