CID 12312555

Lycodoline

Structural Information

Molecular Formula
C16H25NO2
SMILES
C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@]2(CCC4)O
InChI
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1
InChIKey
DBMXKPOCXQNWOQ-WALBABNVSA-N
Compound name
(1S,2S,10S,13S,15R)-2-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

27
Patents

263.18854 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 164.4
[M+Na]+ 286.177758 168.0
[M-H]- 262.181264 165.2
[M+NH4]+ 281.222363 185.3
[M+K]+ 302.151698 163.8
[M+H-H2O]+ 246.185800 155.9
[M+HCOO]- 308.186741 171.0
[M+CH3COO]- 322.202391 172.7
[M+Na-2H]- 284.163206 168.1
[M]+ 263.18799142 155.4
[M]- 263.18908858 155.4
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