CID 4095384

2-{2-[(2-methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
COC1=CC=CC=C1NC2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3S/c1-23-14-10-6-5-9-13(14)19-18-20-17(12-7-3-2-4-8-12)15(24-18)11-16(21)22/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKey
ZCFXJXOEDBZELJ-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyanilino)-4-phenyl-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

340.08817 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09545 178.1
[M+Na]+ 363.07739 190.9
[M+NH4]+ 358.12199 185.4
[M+K]+ 379.05133 183.9
[M-H]- 339.08089 183.3
[M+Na-2H]- 361.06284 186.6
[M]+ 340.08762 181.8
[M]- 340.08872 181.8
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.