CID 131751291

Divanillyltetrahydrofuran ferulate

Structural Information

Molecular Formula
C30H32O8
SMILES
COC1=C(C=CC(=C1)CC2COCC2CC3=CC(=C(C=C3)OC(=O)/C=C/C4=CC(=C(C=C4)O)OC)OC)O
InChI
InChI=1S/C30H32O8/c1-34-27-14-19(4-8-24(27)31)7-11-30(33)38-26-10-6-21(16-29(26)36-3)13-23-18-37-17-22(23)12-20-5-9-25(32)28(15-20)35-2/h4-11,14-16,22-23,31-32H,12-13,17-18H2,1-3H3/b11-7+
InChIKey
WUMFMXNTYLFVSJ-YRNVUSSQSA-N
Compound name
[4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2097 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.21698 226.0
[M+Na]+ 543.19892 229.9
[M-H]- 519.20242 236.7
[M+NH4]+ 538.24352 230.4
[M+K]+ 559.17286 227.5
[M+H-H2O]+ 503.20696 215.6
[M+HCOO]- 565.20790 241.8
[M+CH3COO]- 579.22355 241.5
[M+Na-2H]- 541.18437 220.3
[M]+ 520.20915 231.9
[M]- 520.21025 231.9
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.