CID 217381

Lupicaine

Structural Information

Molecular Formula
C17H24N2O2
SMILES
C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H24N2O2/c18-15-8-6-13(7-9-15)17(20)21-12-14-4-3-11-19-10-2-1-5-16(14)19/h6-9,14,16H,1-5,10-12,18H2/t14-,16+/m0/s1
InChIKey
SOGHCSKBULRSRK-GOEBONIOSA-N
Compound name
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 169.7
[M+Na]+ 311.17300 180.1
[M+NH4]+ 306.21760 177.9
[M+K]+ 327.14694 173.1
[M-H]- 287.17650 173.8
[M+Na-2H]- 309.15845 174.6
[M]+ 288.18323 172.1
[M]- 288.18433 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.