CID 5993816

4-hydroxy-3-[(e)-3-(4-methoxyphenyl)prop-2-enoyl]benzoic acid

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)C(=O)O)O
InChI
InChI=1S/C17H14O5/c1-22-13-6-2-11(3-7-13)4-8-15(18)14-10-12(17(20)21)5-9-16(14)19/h2-10,19H,1H3,(H,20,21)/b8-4+
InChIKey
BIQQOVRJGZSEIO-XBXARRHUSA-N
Compound name
4-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08414 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.8
[M+Na]+ 321.07336 172.9
[M-H]- 297.07686 170.2
[M+NH4]+ 316.11796 179.4
[M+K]+ 337.04730 169.0
[M+H-H2O]+ 281.08140 158.5
[M+HCOO]- 343.08234 185.8
[M+CH3COO]- 357.09799 198.8
[M+Na-2H]- 319.05881 167.0
[M]+ 298.08359 167.2
[M]- 298.08469 167.2
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.