CID 6450671

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

Structural Information

Molecular Formula
C20H16ClNO3S
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClNO3S/c1-25-16-9-2-13(3-10-16)4-11-18-22-20(17(26-18)12-19(23)24)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,24)/b11-4+
InChIKey
RKZNZYAXDDORGT-NYYWCZLTSA-N
Compound name
2-[4-(4-chlorophenyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.05396 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06124 189.9
[M+Na]+ 408.04318 204.8
[M+NH4]+ 403.08778 197.4
[M+K]+ 424.01712 196.0
[M-H]- 384.04668 194.6
[M+Na-2H]- 406.02863 197.7
[M]+ 385.05341 194.1
[M]- 385.05451 194.1
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.