CID 160614

5,6-didehydrosparteine

Structural Information

Molecular Formula
C15H24N2
SMILES
C1CCN2C[C@@H]3C[C@H]([C@@H]2C1)CN4C3=CCCC4
InChI
InChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h5,12-13,15H,1-4,6-11H2/t12-,13-,15-/m0/s1
InChIKey
YIHBNZCJQJSZJP-YDHLFZDLSA-N
Compound name
(1S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

5
Patents

232.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 154.1
[M+Na]+ 255.183168 156.6
[M-H]- 231.186674 153.2
[M+NH4]+ 250.227773 172.0
[M+K]+ 271.157108 151.9
[M+H-H2O]+ 215.191210 144.5
[M+HCOO]- 277.192151 161.2
[M+CH3COO]- 291.207801 162.2
[M+Na-2H]- 253.168616 159.1
[M]+ 232.19340142 144.0
[M]- 232.19449858 144.0
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