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

231
Patents

248.18886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 162.0
[M+Na]+ 271.17808 172.4
[M+NH4]+ 266.22268 172.2
[M+K]+ 287.15202 164.4
[M-H]- 247.18158 163.9
[M+Na-2H]- 269.16353 162.0
[M]+ 248.18831 163.8
[M]- 248.18941 163.8
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