CID 173616

Cbd cannabis derivative

Structural Information

Molecular Formula
C33H53NO3
SMILES
CCCCCCCC(C)C1=CC2=C(C3=C(CCCC3)C(O2)(C)C)C(=C1)OC(=O)CCCCN(CC)CC
InChI
InChI=1S/C33H53NO3/c1-7-10-11-12-13-18-25(4)26-23-29(36-31(35)21-16-17-22-34(8-2)9-3)32-27-19-14-15-20-28(27)33(5,6)37-30(32)24-26/h23-25H,7-22H2,1-6H3
InChIKey
LKZQTNSAWVCNMU-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 5-(diethylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.40256 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.40984 239.0
[M+Na]+ 534.39178 238.8
[M-H]- 510.39528 242.4
[M+NH4]+ 529.43638 248.3
[M+K]+ 550.36572 235.6
[M+H-H2O]+ 494.39982 229.0
[M+HCOO]- 556.40076 249.3
[M+CH3COO]- 570.41641 257.4
[M+Na-2H]- 532.37723 233.9
[M]+ 511.40201 245.0
[M]- 511.40311 245.0
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.