CID 5276251

2-hydroxy-5-[2-[2-(trifluoromethyl)anilino]thiazol-5-yl]benzamide

Structural Information

Molecular Formula
C17H12F3N3O2S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N
InChI
InChI=1S/C17H12F3N3O2S/c18-17(19,20)11-3-1-2-4-12(11)23-16-22-8-14(26-16)9-5-6-13(24)10(7-9)15(21)25/h1-8,24H,(H2,21,25)(H,22,23)
InChIKey
RWQDFHMAJUZHKK-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[2-[2-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.06024 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06752 181.2
[M+Na]+ 402.04946 189.8
[M-H]- 378.05296 185.1
[M+NH4]+ 397.09406 192.6
[M+K]+ 418.02340 182.8
[M+H-H2O]+ 362.05750 170.7
[M+HCOO]- 424.05844 195.2
[M+CH3COO]- 438.07409 216.8
[M+Na-2H]- 400.03491 180.6
[M]+ 379.05969 177.9
[M]- 379.06079 177.9
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.