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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.185576	155.8
[M+Na]+	253.167518	158.6
[M-H]-	229.171024	157.0
[M+NH4]+	248.212123	170.5
[M+K]+	269.141458	153.4
[M+H-H2O]+	213.175560	146.3
[M+HCOO]-	275.176501	168.1
[M+CH3COO]-	289.192151	164.5
[M+Na-2H]-	251.152966	160.0
[M]+	230.17775142	146.1
[M]-	230.17884858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe