CID 91471

Lupanine

Structural Information

Molecular Formula
C15H24N2O
SMILES
C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4[C@@H]3CCCC4=O
InChI
InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1
InChIKey
JYIJIIVLEOETIQ-XDQVBPFNSA-N
Compound name
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

68
References

244
Patents

248.18886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 158.3
[M+Na]+ 271.178078 160.9
[M-H]- 247.181584 157.4
[M+NH4]+ 266.222683 175.6
[M+K]+ 287.152018 156.3
[M+H-H2O]+ 231.186120 148.9
[M+HCOO]- 293.187061 164.2
[M+CH3COO]- 307.202711 166.0
[M+Na-2H]- 269.163526 161.6
[M]+ 248.18831142 147.9
[M]- 248.18940858 147.9
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