CID 120717

Yohimban

Structural Information

Molecular Formula
C19H24N2
SMILES
C1CC[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C1)NC5=CC=CC=C45
InChI
InChI=1S/C19H24N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-8,13-14,18,20H,1-2,5-6,9-12H2/t13-,14-,18-/m0/s1
InChIKey
JUPDIHMJFPDGMY-DEYYWGMASA-N
Compound name
(1S,15R,20S)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

103
Patents

280.19394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 164.7
[M+Na]+ 303.18316 170.1
[M-H]- 279.18666 166.1
[M+NH4]+ 298.22776 182.6
[M+K]+ 319.15710 162.3
[M+H-H2O]+ 263.19120 155.3
[M+HCOO]- 325.19214 174.2
[M+CH3COO]- 339.20779 173.3
[M+Na-2H]- 301.16861 168.1
[M]+ 280.19339 156.6
[M]- 280.19449 156.6
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