CID 22432

6063-40-7

Structural Information

Molecular Formula

C₁₅H₁₉N₃

SMILES

C1=CC(=CC=C1CCC(C2=CC=C(C=C2)N)N)N

InChI

InChI=1S/C15H19N3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-2,4-9,15H,3,10,16-18H2

InChIKey

QAONFKCWKTUBRJ-UHFFFAOYSA-N

Compound name

4-[3-amino-3-(4-aminophenyl)propyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.1579 Da
Monoisotopic Mass: 1.8
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]+	242.165176	156.8
[M+Na]+	264.147118	162.2
[M-H]-	240.150624	162.1
[M+NH4]+	259.191723	172.7
[M+K]+	280.121058	157.5
[M+H-H2O]+	224.155160	148.9
[M+HCOO]-	286.156101	181.1
[M+CH3COO]-	300.171751	201.4
[M+Na-2H]-	262.132566	159.8
[M]+	241.15735142	151.4
[M]-	241.15844858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe