CID 120670

Epiyohimbol

Structural Information

Molecular Formula
C19H24N2O
SMILES
C1C[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C[C@@H]1O)NC5=CC=CC=C45
InChI
InChI=1S/C19H24N2O/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/h1-4,12-14,18,20,22H,5-11H2/t12-,13-,14+,18-/m0/s1
InChIKey
YZHQOLWNBFSHQZ-FLTUCWPJSA-N
Compound name
(1S,15R,18R,20R)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 168.4
[M+Na]+ 319.17809 174.2
[M-H]- 295.18159 168.9
[M+NH4]+ 314.22269 185.2
[M+K]+ 335.15203 166.3
[M+H-H2O]+ 279.18613 159.6
[M+HCOO]- 341.18707 176.4
[M+CH3COO]- 355.20272 176.5
[M+Na-2H]- 317.16354 171.0
[M]+ 296.18832 160.5
[M]- 296.18942 160.5
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