CID 16075358

1-[(3-diethoxyphosphoryl-4,5-dihydroisoxazol-5-yl)methyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H20N3O6P
SMILES
CCOP(=O)(C1=NOC(C1)CN2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C13H20N3O6P/c1-4-20-23(19,21-5-2)11-6-10(22-15-11)8-16-7-9(3)12(17)14-13(16)18/h7,10H,4-6,8H2,1-3H3,(H,14,17,18)
InChIKey
MIKDGOPXEBHGSL-UHFFFAOYSA-N
Compound name
1-[(3-diethoxyphosphoryl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.10898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11626 176.8
[M+Na]+ 368.09820 184.9
[M-H]- 344.10170 178.3
[M+NH4]+ 363.14280 186.3
[M+K]+ 384.07214 183.9
[M+H-H2O]+ 328.10624 165.9
[M+HCOO]- 390.10718 199.2
[M+CH3COO]- 404.12283 207.7
[M+Na-2H]- 366.08365 176.7
[M]+ 345.10843 183.1
[M]- 345.10953 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.