CID 98135

2,3-bis(4-methoxyphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C17H16O4/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)
InChIKey
DUVDSIWOHRUZCS-UHFFFAOYSA-N
Compound name
2,3-bis(4-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

38
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 164.4
[M+Na]+ 307.094078 170.9
[M-H]- 283.097584 169.8
[M+NH4]+ 302.138683 179.1
[M+K]+ 323.068018 167.7
[M+H-H2O]+ 267.102120 156.8
[M+HCOO]- 329.103061 185.5
[M+CH3COO]- 343.118711 198.5
[M+Na-2H]- 305.079526 166.6
[M]+ 284.10431142 166.5
[M]- 284.10540858 166.5
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

patents stripe