CID 6521220

3-benzoyl-2-benzylidenepropionic acid

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C(C=C1)/C=C(/CC(=O)C2=CC=CC=C2)\C(=O)O
InChI
InChI=1S/C17H14O3/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,20)/b15-11-
InChIKey
LFYGPJPULMXIEY-PTNGSMBKSA-N
Compound name
(2Z)-2-benzylidene-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 161.7
[M+Na]+ 289.08352 174.2
[M+NH4]+ 284.12812 168.6
[M+K]+ 305.05746 167.8
[M-H]- 265.08702 164.4
[M+Na-2H]- 287.06897 169.3
[M]+ 266.09375 164.1
[M]- 266.09485 164.1
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.