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

literature stripe

Patent stripe

patents stripe