CID 10777028

Nupharolutine

Structural Information

Molecular Formula
C15H23NO2
SMILES
C[C@@H]1CC[C@H](N2[C@H]1CC[C@@](C2)(C)O)C3=COC=C3
InChI
InChI=1S/C15H23NO2/c1-11-3-4-14(12-6-8-18-9-12)16-10-15(2,17)7-5-13(11)16/h6,8-9,11,13-14,17H,3-5,7,10H2,1-2H3/t11-,13+,14+,15-/m1/s1
InChIKey
DZKOJPWTBVWCGX-UQOMUDLDSA-N
Compound name
(3R,6S,9R,9aS)-6-(furan-3-yl)-3,9-dimethyl-1,2,4,6,7,8,9,9a-octahydroquinolizin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 159.3
[M+Na]+ 272.162098 165.1
[M-H]- 248.165604 164.1
[M+NH4]+ 267.206703 178.0
[M+K]+ 288.136038 162.5
[M+H-H2O]+ 232.170140 152.6
[M+HCOO]- 294.171081 173.3
[M+CH3COO]- 308.186731 170.2
[M+Na-2H]- 270.147546 161.3
[M]+ 249.17233142 154.7
[M]- 249.17342858 154.7
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

No patent data available for this compound.