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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10094 166.5
[M+Na]+ 327.08288 171.9
[M-H]- 303.08638 166.3
[M+NH4]+ 322.12748 178.5
[M+K]+ 343.05682 172.2
[M+H-H2O]+ 287.09092 155.5
[M+HCOO]- 349.09186 194.0
[M+CH3COO]- 363.10751 206.6
[M+Na-2H]- 325.06833 170.7
[M]+ 304.09311 172.0
[M]- 304.09421 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.