CID 71597771

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

Structural Information

Molecular Formula
C20H18O8
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)C(=O)OC)O)OC
InChI
InChI=1S/C20H18O8/c1-12(21)27-17-7-4-13(10-18(17)25-2)5-9-19(23)28-16-8-6-14(11-15(16)22)20(24)26-3/h4-11,22H,1-3H3/b9-5+
InChIKey
MVLWWPFUTWAWAW-WEVVVXLNSA-N
Compound name
methyl 4-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.10016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 184.8
[M+Na]+ 409.08938 191.3
[M-H]- 385.09288 190.5
[M+NH4]+ 404.13398 195.4
[M+K]+ 425.06332 190.2
[M+H-H2O]+ 369.09742 176.3
[M+HCOO]- 431.09836 204.9
[M+CH3COO]- 445.11401 216.3
[M+Na-2H]- 407.07483 183.6
[M]+ 386.09961 192.2
[M]- 386.10071 192.2
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.