CID 9548786

Nupharidine

Structural Information

Molecular Formula
C15H23NO2
SMILES
C[C@H]1CC[C@H]2[C@@H](CC[C@H]([N@+]2(C1)[O-])C3=COC=C3)C
InChI
InChI=1S/C15H23NO2/c1-11-3-5-14-12(2)4-6-15(16(14,17)9-11)13-7-8-18-10-13/h7-8,10-12,14-15H,3-6,9H2,1-2H3/t11-,12+,14-,15-,16+/m0/s1
InChIKey
HISDAJRMKAJROU-PTNZTPPNSA-N
Compound name
(1R,4S,5R,7S,9aS)-4-(furan-3-yl)-1,7-dimethyl-5-oxido-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

249.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 158.3
[M+Na]+ 272.162098 163.4
[M-H]- 248.165604 162.9
[M+NH4]+ 267.206703 176.8
[M+K]+ 288.136038 156.1
[M+H-H2O]+ 232.170140 156.2
[M+HCOO]- 294.171081 172.7
[M+CH3COO]- 308.186731 184.3
[M+Na-2H]- 270.147546 162.4
[M]+ 249.17233142 151.2
[M]- 249.17342858 151.2
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