CID 2405244

3-(3-ethoxy-4-hydroxyphenyl)-2-phenylprop-2-enoic acid

Structural Information

Molecular Formula
C17H16O4
SMILES
CCOC1=C(C=CC(=C1)/C=C(\C2=CC=CC=C2)/C(=O)O)O
InChI
InChI=1S/C17H16O4/c1-2-21-16-11-12(8-9-15(16)18)10-14(17(19)20)13-6-4-3-5-7-13/h3-11,18H,2H2,1H3,(H,19,20)/b14-10+
InChIKey
MWAIANWSNPYYIQ-GXDHUFHOSA-N
Compound name
(E)-3-(3-ethoxy-4-hydroxyphenyl)-2-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 165.8
[M+Na]+ 307.09408 178.3
[M+NH4]+ 302.13868 172.2
[M+K]+ 323.06802 172.4
[M-H]- 283.09758 168.0
[M+Na-2H]- 305.07953 172.4
[M]+ 284.10431 168.0
[M]- 284.10541 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.