CID 435161

Nsc364549

Structural Information

Molecular Formula
C23H32O7
SMILES
CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)C2(CC(C=CC23OCCO3)O)CC=C
InChI
InChI=1S/C23H32O7/c1-6-8-22(14-17(24)7-9-23(22)29-10-11-30-23)15(2)20(25)16-12-18(26-3)21(28-5)19(13-16)27-4/h6-7,9,12-13,15,17,20,24-25H,1,8,10-11,14H2,2-5H3
InChIKey
SCQHYNOUADYSHE-UHFFFAOYSA-N
Compound name
6-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]-6-prop-2-enyl-1,4-dioxaspiro[4.5]dec-9-en-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2148 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.222076 199.3
[M+Na]+ 443.204018 203.7
[M-H]- 419.207524 206.2
[M+NH4]+ 438.248623 211.3
[M+K]+ 459.177958 203.9
[M+H-H2O]+ 403.212060 193.4
[M+HCOO]- 465.213001 211.5
[M+CH3COO]- 479.228651 221.9
[M+Na-2H]- 441.189466 198.5
[M]+ 420.21425142 203.1
[M]- 420.21534858 203.1
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.