CID 6450669

2-(2-(4-methoxyphenyl)ethenyl)-4-phenyl-5-thiazoleacetic acid

Structural Information

Molecular Formula
C20H17NO3S
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C20H17NO3S/c1-24-16-10-7-14(8-11-16)9-12-18-21-20(15-5-3-2-4-6-15)17(25-18)13-19(22)23/h2-12H,13H2,1H3,(H,22,23)/b12-9+
InChIKey
ZLYSMYDHRJNNNW-FMIVXFBMSA-N
Compound name
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.09293 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10021 182.9
[M+Na]+ 374.08215 196.6
[M+NH4]+ 369.12675 190.2
[M+K]+ 390.05609 188.6
[M-H]- 350.08565 187.6
[M+Na-2H]- 372.06760 191.0
[M]+ 351.09238 186.6
[M]- 351.09348 186.6
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.