CID 151498

10239-34-6

Structural Information

Molecular Formula

C₁₇H₂₂N₂

SMILES

C1=CC=C(C=C1)CNCCCNCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2

InChIKey

RXLUOFXICZSZIB-UHFFFAOYSA-N

Compound name

N,N'-dibenzylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 93
Patents: 254.1783 Da
Monoisotopic Mass: 2.6
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]+	255.18558	159.6
[M+Na]+	277.16752	163.2
[M-H]-	253.17102	165.1
[M+NH4]+	272.21212	175.4
[M+K]+	293.14146	158.3
[M+H-H2O]+	237.17556	151.0
[M+HCOO]-	299.17650	185.0
[M+CH3COO]-	313.19215	200.9
[M+Na-2H]-	275.15297	167.0
[M]+	254.17775	158.3
[M]-	254.17885	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe