CID 6450639

4-(4-methylphenyl)-2-(2-phenylethenyl)-5-thiazoleacetic acid

Structural Information

Molecular Formula
C20H17NO2S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)/C=C/C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C20H17NO2S/c1-14-7-10-16(11-8-14)20-17(13-19(22)23)24-18(21-20)12-9-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23)/b12-9+
InChIKey
KTTVKFNPXZDFIY-FMIVXFBMSA-N
Compound name
2-[4-(4-methylphenyl)-2-[(E)-2-phenylethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.098 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10528 179.6
[M+Na]+ 358.08722 193.9
[M+NH4]+ 353.13182 187.5
[M+K]+ 374.06116 185.3
[M-H]- 334.09072 184.8
[M+Na-2H]- 356.07267 188.1
[M]+ 335.09745 183.6
[M]- 335.09855 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.