CID 43198744

(2-chlorophenyl)(4-methoxy-2-methylphenyl)methanamine

Structural Information

Molecular Formula

C₁₅H₁₆ClNO

SMILES

CC1=C(C=CC(=C1)OC)C(C2=CC=CC=C2Cl)N

InChI

InChI=1S/C15H16ClNO/c1-10-9-11(18-2)7-8-12(10)15(17)13-5-3-4-6-14(13)16/h3-9,15H,17H2,1-2H3

InChIKey

YFVMDLXWNUANBF-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-(4-methoxy-2-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.09204 Da
Monoisotopic Mass: 3.4
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]+	262.099316	158.9
[M+Na]+	284.081258	167.6
[M-H]-	260.084764	165.5
[M+NH4]+	279.125863	176.4
[M+K]+	300.055198	162.3
[M+H-H2O]+	244.089300	152.5
[M+HCOO]-	306.090241	178.1
[M+CH3COO]-	320.105891	199.3
[M+Na-2H]-	282.066706	161.9
[M]+	261.09149142	160.9
[M]-	261.09258858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.