CID 457887

Limbosin b from licaria limbosa

Structural Information

Molecular Formula
C21H28O4
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)C2(CC(C=CC2=O)OC)CC=C
InChI
InChI=1S/C21H28O4/c1-6-11-21(14-17(23-3)8-10-20(21)22)15(2)12-16-7-9-18(24-4)19(13-16)25-5/h6-10,13,15,17H,1,11-12,14H2,2-5H3
InChIKey
SXYIUOZJZREGSK-UHFFFAOYSA-N
Compound name
6-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methoxy-6-prop-2-enylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.19876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20604 181.9
[M+Na]+ 367.18798 188.0
[M-H]- 343.19148 188.1
[M+NH4]+ 362.23258 197.4
[M+K]+ 383.16192 185.2
[M+H-H2O]+ 327.19602 174.4
[M+HCOO]- 389.19696 201.2
[M+CH3COO]- 403.21261 215.3
[M+Na-2H]- 365.17343 181.8
[M]+ 344.19821 186.3
[M]- 344.19931 186.3
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.