CID 71756410

1-benzyl-decahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC2CNCCC2N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c1-2-5-13(6-3-1)12-17-10-4-7-14-11-16-9-8-15(14)17/h1-3,5-6,14-16H,4,7-12H2
InChIKey
TZOUPQXQHUBGOP-UHFFFAOYSA-N
Compound name
1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

230.1783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 155.8
[M+Na]+ 253.16752 158.6
[M-H]- 229.17102 157.0
[M+NH4]+ 248.21212 170.5
[M+K]+ 269.14146 153.4
[M+H-H2O]+ 213.17556 146.3
[M+HCOO]- 275.17650 168.1
[M+CH3COO]- 289.19215 164.5
[M+Na-2H]- 251.15297 160.0
[M]+ 230.17775 146.1
[M]- 230.17885 146.1
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

patents stripe