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 164.9
[M+Na]+ 307.09408 170.9
[M-H]- 283.09758 168.8
[M+NH4]+ 302.13868 178.9
[M+K]+ 323.06802 166.8
[M+H-H2O]+ 267.10212 157.5
[M+HCOO]- 329.10306 184.4
[M+CH3COO]- 343.11871 196.1
[M+Na-2H]- 305.07953 166.6
[M]+ 284.10431 165.0
[M]- 284.10541 165.0
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.