CID 205763

Pyridine, 3-amino-4-((3-phenylpropyl)amino)-, dihydrochloride

Structural Information

Molecular Formula

C₁₄H₁₇N₃

SMILES

C1=CC=C(C=C1)CCCNC2=C(C=NC=C2)N

InChI

InChI=1S/C14H17N3/c15-13-11-16-10-8-14(13)17-9-4-7-12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,4,7,9,15H2,(H,16,17)

InChIKey

WYGVCDXJHLQQFJ-UHFFFAOYSA-N

Compound name

4-N-(3-phenylpropyl)pyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 227.14224 Da
Monoisotopic Mass: 2.5
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]+	228.149516	151.4
[M+Na]+	250.131458	157.3
[M-H]-	226.134964	155.9
[M+NH4]+	245.176063	167.1
[M+K]+	266.105398	152.6
[M+H-H2O]+	210.139500	142.7
[M+HCOO]-	272.140441	176.0
[M+CH3COO]-	286.156091	195.0
[M+Na-2H]-	248.116906	158.8
[M]+	227.14169142	149.0
[M]-	227.14278858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe