CID 292905

N-(3-chloro-p-tolyl)-4-methylbenzylamine

Structural Information

Molecular Formula

C₁₅H₁₆ClN

SMILES

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

InChI

InChI=1S/C15H16ClN/c1-11-3-6-13(7-4-11)10-17-14-8-5-12(2)15(16)9-14/h3-9,17H,10H2,1-2H3

InChIKey

ODZRBTUVRQUISV-UHFFFAOYSA-N

Compound name

3-chloro-4-methyl-N-[(4-methylphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 245.09712 Da
Monoisotopic Mass: 4.8
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]+	246.104396	155.0
[M+Na]+	268.086338	164.1
[M-H]-	244.089844	161.9
[M+NH4]+	263.130943	173.5
[M+K]+	284.060278	158.0
[M+H-H2O]+	228.094380	148.6
[M+HCOO]-	290.095321	175.5
[M+CH3COO]-	304.110971	197.0
[M+Na-2H]-	266.071786	160.2
[M]+	245.09657142	157.1
[M]-	245.09766858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe