CID 4367631

4-chloro-n-(3,4-dimethoxybenzyl)aniline

Structural Information

Molecular Formula

C₁₅H₁₆ClNO₂

SMILES

COC1=C(C=C(C=C1)CNC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C15H16ClNO2/c1-18-14-8-3-11(9-15(14)19-2)10-17-13-6-4-12(16)5-7-13/h3-9,17H,10H2,1-2H3

InChIKey

UUDIOVAKFLQNMI-UHFFFAOYSA-N

Compound name

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 277.08694 Da
Monoisotopic Mass: 3.6
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]+	278.09422	161.6
[M+Na]+	300.07616	177.2
[M+NH4]+	295.12076	170.8
[M+K]+	316.05010	168.3
[M-H]-	276.07966	167.2
[M+Na-2H]-	298.06161	171.3
[M]+	277.08639	165.9
[M]-	277.08749	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe