CID 6448154

(e,e)-3-(3-(1-oxo-3-phenyl-2-propenyl)phenyl)-2-propenoic acid

Structural Information

Molecular Formula
C18H14O3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC(=C2)/C=C/C(=O)O
InChI
InChI=1S/C18H14O3/c19-17(11-9-14-5-2-1-3-6-14)16-8-4-7-15(13-16)10-12-18(20)21/h1-13H,(H,20,21)/b11-9+,12-10+
InChIKey
HFYXHQBRHCHWAO-WGDLNXRISA-N
Compound name
(E)-3-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 164.2
[M+Na]+ 301.08352 170.2
[M-H]- 277.08702 169.1
[M+NH4]+ 296.12812 178.9
[M+K]+ 317.05746 164.8
[M+H-H2O]+ 261.09156 156.6
[M+HCOO]- 323.09250 185.2
[M+CH3COO]- 337.10815 195.9
[M+Na-2H]- 299.06897 166.5
[M]+ 278.09375 163.3
[M]- 278.09485 163.3
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

patents stripe