CID 218066

17-oxosparteine

Structural Information

Molecular Formula
C15H24N2O
SMILES
C1CCN2C[C@@H]3C[C@H]([C@H]2C1)C(=O)N4[C@H]3CCCC4
InChI
InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13-,14+/m0/s1
InChIKey
YQMWQSMYVPLYDI-RFQIPJPRSA-N
Compound name
(1S,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

137
Patents

248.18886 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.19614 158.3
[M+Na]+ 271.17808 160.9
[M-H]- 247.18158 157.4
[M+NH4]+ 266.22268 175.6
[M+K]+ 287.15202 156.3
[M+H-H2O]+ 231.18612 148.9
[M+HCOO]- 293.18706 164.2
[M+CH3COO]- 307.20271 166.0
[M+Na-2H]- 269.16353 161.6
[M]+ 248.18831 147.9
[M]- 248.18941 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