CID 25245106

P1-uridyl-p2-methyl diphosphate

Structural Information

Molecular Formula
C10H16N2O12P2
SMILES
COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C10H16N2O12P2/c1-21-25(17,18)24-26(19,20)22-4-5-7(14)8(15)9(23-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/t5-,7-,8-,9-/m1/s1
InChIKey
QEXWQSCECHIMQL-ZOQUXTDFSA-N
Compound name
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.01785 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.02513 181.1
[M+Na]+ 441.00707 184.3
[M+NH4]+ 436.05167 178.6
[M+K]+ 456.98101 191.4
[M-H]- 417.01057 174.5
[M+Na-2H]- 438.99252 177.3
[M]+ 418.01730 178.4
[M]- 418.01840 178.4
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.