CID 6450635

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

Structural Information

Molecular Formula
C19H15NO2S
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2S/c21-18(22)13-16-19(15-9-5-2-6-10-15)20-17(23-16)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,21,22)/b12-11+
InChIKey
RJBQNQKROPHSOX-VAWYXSNFSA-N
Compound name
2-[4-phenyl-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

321.08234 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08962 175.5
[M+Na]+ 344.07156 183.4
[M-H]- 320.07506 183.1
[M+NH4]+ 339.11616 189.8
[M+K]+ 360.04550 176.6
[M+H-H2O]+ 304.07960 167.4
[M+HCOO]- 366.08054 192.6
[M+CH3COO]- 380.09619 186.3
[M+Na-2H]- 342.05701 174.9
[M]+ 321.08179 177.1
[M]- 321.08289 177.1
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.