CID 6450637

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

Structural Information

Molecular Formula
C19H14ClNO2S
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=C(S2)CC(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClNO2S/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
GCDKBSYSOQNOLC-IZZDOVSWSA-N
Compound name
2-[4-(4-chlorophenyl)-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

355.04337 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05065 181.9
[M+Na]+ 378.03259 191.4
[M-H]- 354.03609 189.8
[M+NH4]+ 373.07719 196.0
[M+K]+ 394.00653 183.1
[M+H-H2O]+ 338.04063 174.6
[M+HCOO]- 400.04157 194.3
[M+CH3COO]- 414.05722 192.7
[M+Na-2H]- 376.01804 180.2
[M]+ 355.04282 186.1
[M]- 355.04392 186.1
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.