CID 19787587

70145-98-1

Structural Information

Molecular Formula

C₂₃H₂₆N₂

SMILES

CC1=CC(=C(C=C1N)C)C(C2=CC=CC=C2)C3=C(C=C(C(=C3)C)N)C

InChI

InChI=1S/C23H26N2/c1-14-12-21(24)16(3)10-19(14)23(18-8-6-5-7-9-18)20-11-17(4)22(25)13-15(20)2/h5-13,23H,24-25H2,1-4H3

InChIKey

FHZDGQOFZGFKSC-UHFFFAOYSA-N

Compound name

4-[(4-amino-2,5-dimethylphenyl)-phenylmethyl]-2,5-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 330.2096 Da
Monoisotopic Mass: 5.4
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]+	331.216876	184.8
[M+Na]+	353.198818	192.4
[M-H]-	329.202324	194.2
[M+NH4]+	348.243423	198.2
[M+K]+	369.172758	185.9
[M+H-H2O]+	313.206860	175.7
[M+HCOO]-	375.207801	207.0
[M+CH3COO]-	389.223451	221.6
[M+Na-2H]-	351.184266	183.5
[M]+	330.20905142	182.8
[M]-	330.21014858	182.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe