CID 6450636

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

Structural Information

Molecular Formula
C19H14FNO2S
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H14FNO2S/c20-15-9-7-14(8-10-15)19-16(12-18(22)23)24-17(21-19)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,23)/b11-6+
InChIKey
NFWPUBJVAYJUAH-IZZDOVSWSA-N
Compound name
2-[4-(4-fluorophenyl)-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

339.07294 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08022 177.7
[M+Na]+ 362.06216 186.6
[M-H]- 338.06566 184.3
[M+NH4]+ 357.10676 191.5
[M+K]+ 378.03610 179.3
[M+H-H2O]+ 322.07020 168.8
[M+HCOO]- 384.07114 193.7
[M+CH3COO]- 398.08679 188.3
[M+Na-2H]- 360.04761 175.9
[M]+ 339.07239 178.9
[M]- 339.07349 178.9
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.