CID 495733

Nsc667004

Structural Information

Molecular Formula
C14H23N2O8P
SMILES
CCOP(=O)(C1(C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)C)O)OCC
InChI
InChI=1S/C14H23N2O8P/c1-4-22-25(21,23-5-2)14(20)6-11(24-10(14)8-17)16-7-9(3)12(18)15-13(16)19/h7,10-11,17,20H,4-6,8H2,1-3H3,(H,15,18,19)/t10-,11-,14?/m0/s1
InChIKey
CBBQEZRNJNAFQF-RFMBEDMFSA-N
Compound name
1-[(2S,5S)-4-diethoxyphosphoryl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1192 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12648 180.7
[M+Na]+ 401.10842 187.8
[M-H]- 377.11192 181.0
[M+NH4]+ 396.15302 190.9
[M+K]+ 417.08236 187.3
[M+H-H2O]+ 361.11646 172.2
[M+HCOO]- 423.11740 200.0
[M+CH3COO]- 437.13305 209.5
[M+Na-2H]- 399.09387 180.9
[M]+ 378.11865 185.7
[M]- 378.11975 185.7
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.