CID 5842104

58956-96-0

Structural Information

Molecular Formula

C₁₇H₂₅N₂O₅P

SMILES

CCOP(=O)(/C(=C/N1CCOCC1)/NC(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C17H25N2O5P/c1-3-23-25(21,24-4-2)16(14-19-10-12-22-13-11-19)18-17(20)15-8-6-5-7-9-15/h5-9,14H,3-4,10-13H2,1-2H3,(H,18,20)/b16-14+

InChIKey

QTROGWKYFRCFDP-JQIJEIRASA-N

Compound name

N-[(E)-1-diethoxyphosphoryl-2-morpholin-4-ylethenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.15012 Da
Monoisotopic Mass: 1.1
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]+	369.157396	188.1
[M+Na]+	391.139338	188.9
[M-H]-	367.142844	190.9
[M+NH4]+	386.183943	196.7
[M+K]+	407.113278	188.6
[M+H-H2O]+	351.147380	176.4
[M+HCOO]-	413.148321	209.0
[M+CH3COO]-	427.163971	215.5
[M+Na-2H]-	389.124786	188.0
[M]+	368.14957142	188.4
[M]-	368.15066858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.