CID 75048911

Cubebinin

Structural Information

Molecular Formula
C24H32O8
SMILES
COC1=CC(=CC(=C1OC)OC)CC2COC(C2CC3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C24H32O8/c1-26-18-9-14(10-19(27-2)22(18)30-5)7-16-13-32-24(25)17(16)8-15-11-20(28-3)23(31-6)21(12-15)29-4/h9-12,16-17,24-25H,7-8,13H2,1-6H3
InChIKey
PIYHDSUVUSVLGU-UHFFFAOYSA-N
Compound name
3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.20972 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21700 205.6
[M+Na]+ 471.19894 212.2
[M-H]- 447.20244 215.3
[M+NH4]+ 466.24354 214.9
[M+K]+ 487.17288 212.2
[M+H-H2O]+ 431.20698 197.0
[M+HCOO]- 493.20792 224.5
[M+CH3COO]- 507.22357 232.7
[M+Na-2H]- 469.18439 202.1
[M]+ 448.20917 216.9
[M]- 448.21027 216.9
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