CID 333195

Nsc333427

Structural Information

Molecular Formula
C11H15N2O6P
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)C
InChI
InChI=1S/C11H15N2O6P/c1-6-4-13(11(15)12-10(6)14)9-3-7-8(18-9)5-17-20(2,16)19-7/h4,7-9H,3,5H2,1-2H3,(H,12,14,15)
InChIKey
NISQYKIKESMUCC-UHFFFAOYSA-N
Compound name
5-methyl-1-(2-methyl-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06677 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07405 164.0
[M+Na]+ 325.05599 173.7
[M-H]- 301.05949 169.0
[M+NH4]+ 320.10059 177.0
[M+K]+ 341.02993 174.4
[M+H-H2O]+ 285.06403 155.0
[M+HCOO]- 347.06497 183.5
[M+CH3COO]- 361.08062 199.4
[M+Na-2H]- 323.04144 165.3
[M]+ 302.06622 166.4
[M]- 302.06732 166.4
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.