CID 21581107

Dihydrolycopodine

Structural Information

Molecular Formula
C16H27NO
SMILES
C[C@@H]1C[C@H]2C[C@H]([C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4)O
InChI
InChI=1S/C16H27NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-15,18H,2-10H2,1H3/t11-,12+,13-,14-,15-,16-/m1/s1
InChIKey
ICWQJNDZXVMLCK-JXEZDRHFSA-N
Compound name
(1R,2R,10S,11R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

249.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 162.2
[M+Na]+ 272.198478 164.4
[M-H]- 248.201984 162.7
[M+NH4]+ 267.243083 181.8
[M+K]+ 288.172418 160.0
[M+H-H2O]+ 232.206520 153.7
[M+HCOO]- 294.207461 168.4
[M+CH3COO]- 308.223111 170.1
[M+Na-2H]- 270.183926 164.6
[M]+ 249.20871142 151.9
[M]- 249.20980858 151.9
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