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]+ 341.095446 177.5
[M+Na]+ 363.077388 185.1
[M-H]- 339.080894 185.4
[M+NH4]+ 358.121993 190.8
[M+K]+ 379.051328 179.6
[M+H-H2O]+ 323.085430 169.1
[M+HCOO]- 385.086371 195.8
[M+CH3COO]- 399.102021 208.2
[M+Na-2H]- 361.062836 177.8
[M]+ 340.08762142 180.7
[M]- 340.08871858 180.7
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.