CID 3006430

Bdbm50131910

Structural Information

Molecular Formula
C11H17N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)CO
InChI
InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)9-2-7(4-14)8(21-9)5-20-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9-/m1/s1
InChIKey
PJHBWHSSFZJDCP-IWSPIJDZSA-N
Compound name
[(2S,3R,5R)-3-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.07227 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07955 170.7
[M+Na]+ 359.06149 177.7
[M-H]- 335.06499 169.8
[M+NH4]+ 354.10609 179.7
[M+K]+ 375.03543 176.5
[M+H-H2O]+ 319.06953 161.6
[M+HCOO]- 381.07047 189.4
[M+CH3COO]- 395.08612 199.0
[M+Na-2H]- 357.04694 169.8
[M]+ 336.07172 172.3
[M]- 336.07282 172.3
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.