CID 499786

[(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

Structural Information

Molecular Formula
C10H14ClN2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)Cl
InChI
InChI=1S/C10H14ClN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
ZSKDLXBFUZKPRR-JXOAFFINSA-N
Compound name
[(2R,3R,4R,5R)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

356.01764 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02492 169.6
[M+Na]+ 379.00686 178.7
[M-H]- 355.01036 169.5
[M+NH4]+ 374.05146 179.2
[M+K]+ 394.98080 176.3
[M+H-H2O]+ 339.01490 161.9
[M+HCOO]- 401.01584 184.2
[M+CH3COO]- 415.03149 201.2
[M+Na-2H]- 376.99231 168.5
[M]+ 356.01709 173.3
[M]- 356.01819 173.3
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

No patent data available for this compound.