CID 11393311

Cannabidiol hydroxyquinone

Structural Information

Molecular Formula
C21H28O3
SMILES
CCCCCC1=CC(=O)C(=C(C1=O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C
InChI
InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
InChIKey
WDXXEUARVHTWQF-DLBZAZTESA-N
Compound name
3-hydroxy-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

97
Patents

328.20386 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21114 178.7
[M+Na]+ 351.19308 184.8
[M-H]- 327.19658 183.7
[M+NH4]+ 346.23768 192.7
[M+K]+ 367.16702 179.8
[M+H-H2O]+ 311.20112 171.8
[M+HCOO]- 373.20206 195.1
[M+CH3COO]- 387.21771 213.5
[M+Na-2H]- 349.17853 174.6
[M]+ 328.20331 178.2
[M]- 328.20441 178.2
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