CID 5272116

115365-18-9

Structural Information

Molecular Formula
C14H21N2O9P
SMILES
CCOC(=O)CP(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O
InChI
InChI=1S/C14H21N2O9P/c1-3-23-13(19)8-26(21,22-2)24-7-10-9(17)6-12(25-10)16-5-4-11(18)15-14(16)20/h4-5,9-10,12,17H,3,6-8H2,1-2H3,(H,15,18,20)/t9-,10+,12+,26?/m0/s1
InChIKey
IKIBBWZWLJUUOH-URMPQVFFSA-N
Compound name
ethyl 2-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-methoxyphosphoryl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.09848 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10576 181.6
[M+Na]+ 415.08770 187.1
[M-H]- 391.09120 182.7
[M+NH4]+ 410.13230 189.3
[M+K]+ 431.06164 187.7
[M+H-H2O]+ 375.09574 171.6
[M+HCOO]- 437.09668 201.9
[M+CH3COO]- 451.11233 212.6
[M+Na-2H]- 413.07315 180.4
[M]+ 392.09793 187.5
[M]- 392.09903 187.5
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.