CID 461278

D4tmp

Structural Information

Molecular Formula
C10H13N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O
InChI
InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey
XLPGURCDSRIXFL-JGVFFNPUSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

475
Patents

304.04605 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05333 162.2
[M+Na]+ 327.03527 170.6
[M-H]- 303.03877 162.9
[M+NH4]+ 322.07987 173.2
[M+K]+ 343.00921 169.4
[M+H-H2O]+ 287.04331 153.0
[M+HCOO]- 349.04425 184.2
[M+CH3COO]- 363.05990 193.8
[M+Na-2H]- 325.02072 163.3
[M]+ 304.04550 164.8
[M]- 304.04660 164.8
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

patents stripe