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]+ 295.216876 170.6
[M+Na]+ 317.198818 176.4
[M-H]- 293.202324 172.1
[M+NH4]+ 312.243423 188.1
[M+K]+ 333.172758 168.4
[M+H-H2O]+ 277.206860 161.2
[M+HCOO]- 339.207801 179.5
[M+CH3COO]- 353.223451 179.0
[M+Na-2H]- 315.184266 172.6
[M]+ 294.20905142 163.1
[M]- 294.21014858 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.