CID 21576178

6alpha-hydroxylycopodine

Structural Information

Molecular Formula
C16H25NO2
SMILES
C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)C(=O)[C@H]2O
InChI
InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14+,16-/m1/s1
InChIKey
AWIZLLPREQJRKH-GXVXIZHISA-N
Compound name
(1R,2R,10S,12S,13R,15R)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 164.0
[M+Na]+ 286.177758 167.3
[M-H]- 262.181264 164.8
[M+NH4]+ 281.222363 183.1
[M+K]+ 302.151698 162.9
[M+H-H2O]+ 246.185800 155.7
[M+HCOO]- 308.186741 170.5
[M+CH3COO]- 322.202391 172.2
[M+Na-2H]- 284.163206 166.0
[M]+ 263.18799142 155.0
[M]- 263.18908858 155.0
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

No patent data available for this compound.