CID 213519

26594-07-0

Structural Information

Molecular Formula

C₁₀H₁₇N₄O₅P

SMILES

CCOP(=O)(NC(=O)NC1=NC=C(C=N1)OC)OCC

InChI

InChI=1S/C10H17N4O5P/c1-4-18-20(16,19-5-2)14-10(15)13-9-11-6-8(17-3)7-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14,15,16)

InChIKey

JVKIWWFMPCKUIB-UHFFFAOYSA-N

Compound name

1-diethoxyphosphoryl-3-(5-methoxypyrimidin-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.09366 Da
Monoisotopic Mass: 0.2
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]+	305.100936	166.5
[M+Na]+	327.082878	171.9
[M-H]-	303.086384	166.3
[M+NH4]+	322.127483	178.5
[M+K]+	343.056818	172.2
[M+H-H2O]+	287.090920	155.5
[M+HCOO]-	349.091861	194.0
[M+CH3COO]-	363.107511	206.6
[M+Na-2H]-	325.068326	170.7
[M]+	304.09311142	172.0
[M]-	304.09420858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.