CID 119433

4-dimethylaminobibenzyl

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CN(C)C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C16H19N/c1-17(2)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3

InChIKey

YVKSFPDFFIXAES-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(2-phenylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 225.15175 Da
Monoisotopic Mass: 4.3
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]+	226.15903	152.7
[M+Na]+	248.14097	158.7
[M-H]-	224.14447	160.4
[M+NH4]+	243.18557	171.1
[M+K]+	264.11491	155.7
[M+H-H2O]+	208.14901	144.8
[M+HCOO]-	270.14995	178.0
[M+CH3COO]-	284.16560	197.5
[M+Na-2H]-	246.12642	158.6
[M]+	225.15120	153.4
[M]-	225.15230	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe