CID 278174

Yohimban-17-one

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1CC(=O)CC2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45
InChI
InChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-13,18,20H,5-11H2
InChIKey
LEXXFFUKMREIKL-UHFFFAOYSA-N
Compound name
3,11,12,14,15,16,17,19,20,21-decahydro-1H-yohimban-18-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

294.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.1
[M+Na]+ 317.16244 184.3
[M+NH4]+ 312.20704 181.4
[M+K]+ 333.13638 177.1
[M-H]- 293.16594 174.3
[M+Na-2H]- 315.14789 173.3
[M]+ 294.17267 173.9
[M]- 294.17377 173.9
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

No patent data available for this compound.