CID 120718

17-alpha-fluoroyohimbane

Structural Information

Molecular Formula
C19H23FN2
SMILES
C1C[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C[C@H]1F)NC5=CC=CC=C45
InChI
InChI=1S/C19H23FN2/c20-14-6-5-12-11-22-8-7-16-15-3-1-2-4-17(15)21-19(16)18(22)10-13(12)9-14/h1-4,12-14,18,21H,5-11H2/t12-,13-,14-,18-/m0/s1
InChIKey
OXGSXWBEBGWSNW-NUXNZHGMSA-N
Compound name
(1S,15R,18S,20R)-18-fluoro-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

298.18454 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.19182 169.2
[M+Na]+ 321.17376 175.6
[M-H]- 297.17726 169.6
[M+NH4]+ 316.21836 186.6
[M+K]+ 337.14770 167.3
[M+H-H2O]+ 281.18180 159.0
[M+HCOO]- 343.18274 177.5
[M+CH3COO]- 357.19839 177.5
[M+Na-2H]- 319.15921 171.2
[M]+ 298.18399 160.5
[M]- 298.18509 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.