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 179.4
[M+Na]+ 441.00707 183.5
[M-H]- 417.01057 176.1
[M+NH4]+ 436.05167 183.9
[M+K]+ 456.98101 186.0
[M+H-H2O]+ 401.01511 168.1
[M+HCOO]- 463.01605 200.6
[M+CH3COO]- 477.03170 211.4
[M+Na-2H]- 438.99252 180.4
[M]+ 418.01730 183.1
[M]- 418.01840 183.1
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.