CID 292407

127598-85-0

Structural Information

Molecular Formula

C₁₆H₂₀N₂

SMILES

CC1=CC=C(C=C1)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H20N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-11,17H,12H2,1-3H3

InChIKey

MPIIVCDMKHOLLQ-UHFFFAOYSA-N

Compound name

N-[[4-(dimethylamino)phenyl]methyl]-4-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 240.16264 Da
Monoisotopic Mass: 3.9
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]+	241.16992	158.2
[M+Na]+	263.15186	172.2
[M+NH4]+	258.19646	167.8
[M+K]+	279.12580	163.5
[M-H]-	239.15536	165.2
[M+Na-2H]-	261.13731	168.5
[M]+	240.16209	162.3
[M]-	240.16319	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe