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]+ 299.091416 165.8
[M+Na]+ 321.073358 172.9
[M-H]- 297.076864 170.2
[M+NH4]+ 316.117963 179.4
[M+K]+ 337.047298 169.0
[M+H-H2O]+ 281.081400 158.5
[M+HCOO]- 343.082341 185.8
[M+CH3COO]- 357.097991 198.8
[M+Na-2H]- 319.058806 167.0
[M]+ 298.08359142 167.2
[M]- 298.08468858 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.