CID 4146701

N-(mesitylmethyl)-n-phenylamine

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC1=CC(=C(C(=C1)C)CNC2=CC=CC=C2)C

InChI

InChI=1S/C16H19N/c1-12-9-13(2)16(14(3)10-12)11-17-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3

InChIKey

QGCOCIOWGUIHMH-UHFFFAOYSA-N

Compound name

N-[(2,4,6-trimethylphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.15175 Da
Monoisotopic Mass: 4.5
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]+	226.15903	152.1
[M+Na]+	248.14097	160.0
[M-H]-	224.14447	159.2
[M+NH4]+	243.18557	170.6
[M+K]+	264.11491	155.6
[M+H-H2O]+	208.14901	144.9
[M+HCOO]-	270.14995	176.9
[M+CH3COO]-	284.16560	196.3
[M+Na-2H]-	246.12642	157.4
[M]+	225.15120	152.4
[M]-	225.15230	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe