CID 3253993

Diphenyl (alpha-anilino-2-pyridylmethyl)phosphonate

Structural Information

Molecular Formula

C₂₄H₂₁N₂O₃P

SMILES

C1=CC=C(C=C1)NC(C2=CC=CC=N2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N2O3P/c27-30(28-21-14-6-2-7-15-21,29-22-16-8-3-9-17-22)24(23-18-10-11-19-25-23)26-20-12-4-1-5-13-20/h1-19,24,26H

InChIKey

MXHHPIZIGHWCOS-UHFFFAOYSA-N

Compound name

N-[diphenoxyphosphoryl(pyridin-2-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 416.12897 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]+	417.136246	198.4
[M+Na]+	439.118188	200.7
[M-H]-	415.121694	206.9
[M+NH4]+	434.162793	204.9
[M+K]+	455.092128	195.8
[M+H-H2O]+	399.126230	183.5
[M+HCOO]-	461.127171	223.7
[M+CH3COO]-	475.142821	225.0
[M+Na-2H]-	437.103636	201.8
[M]+	416.12842142	197.3
[M]-	416.12951858	197.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe