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]+ 421.22208 199.3
[M+Na]+ 443.20402 203.7
[M-H]- 419.20752 206.2
[M+NH4]+ 438.24862 211.3
[M+K]+ 459.17796 203.9
[M+H-H2O]+ 403.21206 193.4
[M+HCOO]- 465.21300 211.5
[M+CH3COO]- 479.22865 221.9
[M+Na-2H]- 441.18947 198.5
[M]+ 420.21425 203.1
[M]- 420.21535 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.