CID 3008452

Schembl11684674

Structural Information

Molecular Formula
C11H15N2O10P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O
InChI
InChI=1S/C11H15N2O10P/c14-6-1-2-13(11(19)12-6)10-9(18)8(17)5(23-10)3-22-24(20,21)4-7(15)16/h1-2,5,8-10,17-18H,3-4H2,(H,15,16)(H,20,21)(H,12,14,19)/t5-,8-,9-,10-/m1/s1
InChIKey
NOVAIUBPAONQMW-UUOKUNOPSA-N
Compound name
2-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

366.04642 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05370 172.6
[M+Na]+ 389.03564 178.2
[M-H]- 365.03914 170.4
[M+NH4]+ 384.08024 179.1
[M+K]+ 405.00958 178.0
[M+H-H2O]+ 349.04368 163.5
[M+HCOO]- 411.04462 189.2
[M+CH3COO]- 425.06027 202.5
[M+Na-2H]- 387.02109 171.0
[M]+ 366.04587 173.8
[M]- 366.04697 173.8
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.