CID 420750

3360-68-7

Structural Information

Molecular Formula

C₂₅H₂₂NO₃P

SMILES

C1=CC=C(C=C1)C(NC2=CC=CC=C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H22NO3P/c27-30(28-23-17-9-3-10-18-23,29-24-19-11-4-12-20-24)25(21-13-5-1-6-14-21)26-22-15-7-2-8-16-22/h1-20,25-26H

InChIKey

ULCZSQUMVLKFFC-UHFFFAOYSA-N

Compound name

N-[diphenoxyphosphoryl(phenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 8
Patents: 415.13373 Da
Monoisotopic Mass: 6.4
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]+	416.14101	199.7
[M+Na]+	438.12295	201.7
[M-H]-	414.12645	209.4
[M+NH4]+	433.16755	207.6
[M+K]+	454.09689	196.9
[M+H-H2O]+	398.13099	185.5
[M+HCOO]-	460.13193	226.0
[M+CH3COO]-	474.14758	225.3
[M+Na-2H]-	436.10840	202.2
[M]+	415.13318	198.5
[M]-	415.13428	198.5

Literature stripe

literature stripe

Patent stripe

patents stripe