CID 6398342

Schembl1764557

Structural Information

Molecular Formula
C10H14N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)O)O
InChI
InChI=1S/C10H13N2O7P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16)17/h3,6-8,13H,2,4H2,1H3,(H-,11,14,15,16,17)/p+1/t6-,7+,8+/m0/s1
InChIKey
GCPFIWIRXSAQPQ-XLPZGREQSA-O
Compound name
hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

305.05386 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06114 162.1
[M+Na]+ 328.04308 169.6
[M-H]- 304.04658 163.0
[M+NH4]+ 323.08768 172.9
[M+K]+ 344.01702 163.0
[M+H-H2O]+ 288.05112 155.4
[M+HCOO]- 350.05206 182.9
[M+CH3COO]- 364.06771 188.1
[M+Na-2H]- 326.02853 162.7
[M]+ 305.05331 162.2
[M]- 305.05441 162.2
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

patents stripe