CID 5284592

Nabilone

Structural Information

Molecular Formula
C24H36O3
SMILES
CCCCCCC(C)(C)C1=CC(=C2[C@@H]3CC(=O)CC[C@H]3C(OC2=C1)(C)C)O
InChI
InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1
InChIKey
GECBBEABIDMGGL-RTBURBONSA-N
Compound name
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

299
References

12856
Patents

372.26645 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.27373 193.9
[M+Na]+ 395.25567 205.1
[M+NH4]+ 390.30027 202.9
[M+K]+ 411.22961 195.9
[M-H]- 371.25917 197.1
[M+Na-2H]- 393.24112 196.2
[M]+ 372.26590 196.7
[M]- 372.26700 196.7
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