CID 5110567

Methyl 4-(diphenylamino)benzoate

Structural Information

Molecular Formula

C₂₀H₁₇NO₂

SMILES

COC(=O)C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO2/c1-23-20(22)16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3

InChIKey

LMPDKTVEQHXQKW-UHFFFAOYSA-N

Compound name

methyl 4-(N-phenylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 303.12592 Da
Monoisotopic Mass: 5.4
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]+	304.13320	172.2
[M+Na]+	326.11514	188.0
[M+NH4]+	321.15974	181.3
[M+K]+	342.08908	179.1
[M-H]-	302.11864	180.2
[M+Na-2H]-	324.10059	184.8
[M]+	303.12537	176.9
[M]-	303.12647	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe