CID 496075

Nsc677991

Structural Information

Molecular Formula
C14H23N2O7P
SMILES
CCOP(=O)([C@@H]1C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)C)OCC
InChI
InChI=1S/C14H23N2O7P/c1-4-21-24(20,22-5-2)11-6-12(23-10(11)8-17)16-7-9(3)13(18)15-14(16)19/h7,10-12,17H,4-6,8H2,1-3H3,(H,15,18,19)/t10-,11+,12-/m0/s1
InChIKey
WXAYOHUTNOMJOM-TUAOUCFPSA-N
Compound name
1-[(2S,4R,5S)-4-diethoxyphosphoryl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1243 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13158 180.5
[M+Na]+ 385.11352 187.5
[M-H]- 361.11702 181.8
[M+NH4]+ 380.15812 190.1
[M+K]+ 401.08746 186.5
[M+H-H2O]+ 345.12156 170.7
[M+HCOO]- 407.12250 201.1
[M+CH3COO]- 421.13815 209.7
[M+Na-2H]- 383.09897 178.7
[M]+ 362.12375 185.4
[M]- 362.12485 185.4
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.