CID 61151132

N1,3-diphenylpropane-1,2-diamine

Structural Information

Molecular Formula

C₁₅H₁₈N₂

SMILES

C1=CC=C(C=C1)CC(CNC2=CC=CC=C2)N

InChI

InChI=1S/C15H18N2/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1-10,14,17H,11-12,16H2

InChIKey

UEPNHSRXHMEFDU-UHFFFAOYSA-N

Compound name

1-N,3-diphenylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.147 Da
Monoisotopic Mass: 3.0
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]+	227.15428	152.1
[M+Na]+	249.13622	156.3
[M-H]-	225.13972	157.6
[M+NH4]+	244.18082	168.8
[M+K]+	265.11016	152.1
[M+H-H2O]+	209.14426	144.1
[M+HCOO]-	271.14520	176.6
[M+CH3COO]-	285.16085	195.1
[M+Na-2H]-	247.12167	158.3
[M]+	226.14645	148.5
[M]-	226.14755	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe