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]+ 285.112136 164.9
[M+Na]+ 307.094078 170.9
[M-H]- 283.097584 168.8
[M+NH4]+ 302.138683 178.9
[M+K]+ 323.068018 166.8
[M+H-H2O]+ 267.102120 157.5
[M+HCOO]- 329.103061 184.4
[M+CH3COO]- 343.118711 196.1
[M+Na-2H]- 305.079526 166.6
[M]+ 284.10431142 165.0
[M]- 284.10540858 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.