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 170.6
[M+Na]+ 317.19882 176.4
[M-H]- 293.20232 172.1
[M+NH4]+ 312.24342 188.1
[M+K]+ 333.17276 168.4
[M+H-H2O]+ 277.20686 161.2
[M+HCOO]- 339.20780 179.5
[M+CH3COO]- 353.22345 179.0
[M+Na-2H]- 315.18427 172.6
[M]+ 294.20905 163.1
[M]- 294.21015 163.1
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.