CID 14353342

3,4-dihydroxycinnamoyl-(z)-2-(3,4-dihydroxyphenyl)ethenol

Structural Information

Molecular Formula
C17H14O6
SMILES
C1=CC(=C(C=C1/C=C/C(=O)O/C=C/C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C17H14O6/c18-13-4-1-11(9-15(13)20)3-6-17(22)23-8-7-12-2-5-14(19)16(21)10-12/h1-10,18-21H/b6-3+,8-7+
InChIKey
GFZFUVWXGQWUGX-ZICOWINBSA-N
Compound name
[(E)-2-(3,4-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.07904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 169.9
[M+Na]+ 337.06826 177.1
[M-H]- 313.07176 171.8
[M+NH4]+ 332.11286 181.7
[M+K]+ 353.04220 171.9
[M+H-H2O]+ 297.07630 162.8
[M+HCOO]- 359.07724 187.9
[M+CH3COO]- 373.09289 195.8
[M+Na-2H]- 335.05371 170.6
[M]+ 314.07849 169.9
[M]- 314.07959 169.9
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

patents stripe