CID 6450669

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

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]+ 352.100206 183.1
[M+Na]+ 374.082148 191.1
[M-H]- 350.085654 190.9
[M+NH4]+ 369.126753 196.3
[M+K]+ 390.056088 184.8
[M+H-H2O]+ 334.090190 174.8
[M+HCOO]- 396.091131 200.0
[M+CH3COO]- 410.106781 207.6
[M+Na-2H]- 372.067596 181.5
[M]+ 351.09238142 186.8
[M]- 351.09347858 186.8
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.