CID 3044489

Cannabidiol-aldehyde diacetate

Structural Information

Molecular Formula
C25H32O5
SMILES
CCCCCC1=CC(=C(C(=C1)OC(=O)C)[C@@H]2C=C(CC[C@H]2C(=C)C=O)C)OC(=O)C
InChI
InChI=1S/C25H32O5/c1-6-7-8-9-20-13-23(29-18(4)27)25(24(14-20)30-19(5)28)22-12-16(2)10-11-21(22)17(3)15-26/h12-15,21-22H,3,6-11H2,1-2,4-5H3/t21-,22+/m0/s1
InChIKey
XRIRENJXKFSNMW-FCHUYYIVSA-N
Compound name
[3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

412.22498 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 200.8
[M+Na]+ 435.21420 211.2
[M+NH4]+ 430.25880 205.1
[M+K]+ 451.18814 205.3
[M-H]- 411.21770 202.2
[M+Na-2H]- 433.19965 203.3
[M]+ 412.22443 202.4
[M]- 412.22553 202.4
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

patents stripe