CID 457567

N-(4-amino-5,6,7,8-tetrahydronaphth-1-yl)aminolupinane trihydrochloride

Structural Information

Molecular Formula
C20H31N3
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CNC3=C4CCCCC4=C(C=C3)N
InChI
InChI=1S/C20H31N3/c21-18-10-11-19(17-8-2-1-7-16(17)18)22-14-15-6-5-13-23-12-4-3-9-20(15)23/h10-11,15,20,22H,1-9,12-14,21H2/t15-,20+/m0/s1
InChIKey
RASGQLRPVUAAFV-MGPUTAFESA-N
Compound name
4-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.2518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25908 174.1
[M+Na]+ 336.24102 174.7
[M-H]- 312.24452 177.6
[M+NH4]+ 331.28562 187.7
[M+K]+ 352.21496 168.7
[M+H-H2O]+ 296.24906 164.1
[M+HCOO]- 358.25000 185.8
[M+CH3COO]- 372.26565 181.0
[M+Na-2H]- 334.22647 176.0
[M]+ 313.25125 161.9
[M]- 313.25235 161.9
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

No patent data available for this compound.