CID 6435751

108051-40-7

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)O
InChI
InChI=1S/C17H14O7/c1-24-16-6-9(3-5-13(16)19)2-4-12(18)10-7-11(17(22)23)15(21)8-14(10)20/h2-8,19-21H,1H3,(H,22,23)/b4-2+
InChIKey
OASSDTYGNQBLPV-DUXPYHPUSA-N
Compound name
2,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.081216 171.1
[M+Na]+ 353.063158 178.5
[M-H]- 329.066664 173.4
[M+NH4]+ 348.107763 182.2
[M+K]+ 369.037098 174.9
[M+H-H2O]+ 313.071200 164.1
[M+HCOO]- 375.072141 188.2
[M+CH3COO]- 389.087791 201.9
[M+Na-2H]- 351.048606 170.2
[M]+ 330.07339142 172.5
[M]- 330.07448858 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.