CID 51951

73637-04-4

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

CC1=CC=CC=C1OC2=CC(=C(C=C2)N)OC3=CC=CC=C3C

InChI

InChI=1S/C20H19NO2/c1-14-7-3-5-9-18(14)22-16-11-12-17(21)20(13-16)23-19-10-6-4-8-15(19)2/h3-13H,21H2,1-2H3

InChIKey

LHEPTIRLRDQRQR-UHFFFAOYSA-N

Compound name

2,4-bis(2-methylphenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 305.14157 Da
Monoisotopic Mass: 5.0
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]+	306.148846	172.9
[M+Na]+	328.130788	180.9
[M-H]-	304.134294	182.7
[M+NH4]+	323.175393	187.2
[M+K]+	344.104728	175.9
[M+H-H2O]+	288.138830	163.6
[M+HCOO]-	350.139771	197.2
[M+CH3COO]-	364.155421	209.0
[M+Na-2H]-	326.116236	176.6
[M]+	305.14102142	174.0
[M]-	305.14211858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe