CID 120670

439-70-3

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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.