CID 71597770

Methyl 3-hydroxy-4-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-benzoate

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C(=O)OC)O)O
InChI
InChI=1S/C18H16O7/c1-23-16-9-11(3-6-13(16)19)4-8-17(21)25-15-7-5-12(10-14(15)20)18(22)24-2/h3-10,19-20H,1-2H3/b8-4+
InChIKey
KMHQEZOAZYPDCK-XBXARRHUSA-N
Compound name
methyl 3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 175.5
[M+Na]+ 367.07882 182.7
[M-H]- 343.08232 180.1
[M+NH4]+ 362.12342 187.4
[M+K]+ 383.05276 180.3
[M+H-H2O]+ 327.08686 167.6
[M+HCOO]- 389.08780 195.5
[M+CH3COO]- 403.10345 206.3
[M+Na-2H]- 365.06427 175.8
[M]+ 344.08905 180.4
[M]- 344.09015 180.4
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.