CID 7544

3-methoxydiphenylamine

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

COC1=CC=CC(=C1)NC2=CC=CC=C2

InChI

InChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3

InChIKey

MKASXAGBWHIGCF-UHFFFAOYSA-N

Compound name

3-methoxy-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 630
Patents: 199.09972 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]+	200.10700	142.0
[M+Na]+	222.08894	149.2
[M-H]-	198.09244	148.8
[M+NH4]+	217.13354	160.8
[M+K]+	238.06288	145.9
[M+H-H2O]+	182.09698	134.7
[M+HCOO]-	244.09792	168.0
[M+CH3COO]-	258.11357	187.0
[M+Na-2H]-	220.07439	150.4
[M]+	199.09917	141.8
[M]-	199.10027	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe