CID 3017248

61220-37-9

Structural Information

Molecular Formula

C₁₅H₂₅N₃

SMILES

C1CN(CCC1NCCCN)CC2=CC=CC=C2

InChI

InChI=1S/C15H25N3/c16-9-4-10-17-15-7-11-18(12-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13,16H2

InChIKey

KXYFFNDOPAVXHZ-UHFFFAOYSA-N

Compound name

N'-(1-benzylpiperidin-4-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 247.20485 Da
Monoisotopic Mass: 1.9
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]+	248.212126	159.8
[M+Na]+	270.194068	162.1
[M-H]-	246.197574	162.9
[M+NH4]+	265.238673	174.3
[M+K]+	286.168008	157.9
[M+H-H2O]+	230.202110	150.7
[M+HCOO]-	292.203051	179.6
[M+CH3COO]-	306.218701	199.0
[M+Na-2H]-	268.179516	163.5
[M]+	247.20430142	153.4
[M]-	247.20539858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe