CID 695906

4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C17H13FN2O3S
SMILES
CC1=C(C=CC(=C1)C2=CSC(=N2)NC3=CC(=C(C=C3)C(=O)O)O)F
InChI
InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChIKey
LKZZDHKJFDTYCH-UHFFFAOYSA-N
Compound name
4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

344.06308 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07036 175.6
[M+Na]+ 367.05230 184.9
[M-H]- 343.05580 181.7
[M+NH4]+ 362.09690 188.5
[M+K]+ 383.02624 178.4
[M+H-H2O]+ 327.06034 167.2
[M+HCOO]- 389.06128 191.6
[M+CH3COO]- 403.07693 208.2
[M+Na-2H]- 365.03775 174.2
[M]+ 344.06253 176.6
[M]- 344.06363 176.6
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

patents stripe