CID 120732

Yohimban, 16-alpha-methyl-

Structural Information

Molecular Formula
C20H26N2
SMILES
C[C@H]1CCC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4
InChI
InChI=1S/C20H26N2/c1-13-5-4-6-14-12-22-10-9-16-15-7-2-3-8-18(15)21-20(16)19(22)11-17(13)14/h2-3,7-8,13-14,17,19,21H,4-6,9-12H2,1H3/t13-,14-,17+,19-/m0/s1
InChIKey
NAAXUJVMRKKKAH-PDVMFTSQSA-N
Compound name
(1S,15R,19S,20R)-19-methyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 173.2
[M+Na]+ 317.19882 186.7
[M+NH4]+ 312.24342 184.2
[M+K]+ 333.17276 178.7
[M-H]- 293.20232 177.1
[M+Na-2H]- 315.18427 175.6
[M]+ 294.20905 176.3
[M]- 294.21015 176.3
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.