CID 500305

Nsc688958

Structural Information

Molecular Formula
C11H16N4O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)N(C(=O)N)O
InChI
InChI=1S/C11H16N4O6/c1-5-3-14(11(19)13-9(5)17)8-2-6(7(4-16)21-8)15(20)10(12)18/h3,6-8,16,20H,2,4H2,1H3,(H2,12,18)(H,13,17,19)/t6-,7-,8-/m1/s1
InChIKey
GQUKYSQQRZCVEM-BWZBUEFSSA-N
Compound name
1-hydroxy-1-[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.107 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11428 164.6
[M+Na]+ 323.09622 171.7
[M-H]- 299.09972 167.4
[M+NH4]+ 318.14082 175.3
[M+K]+ 339.07016 170.6
[M+H-H2O]+ 283.10426 156.8
[M+HCOO]- 345.10520 182.3
[M+CH3COO]- 359.12085 203.1
[M+Na-2H]- 321.08167 164.0
[M]+ 300.10645 163.2
[M]- 300.10755 163.2
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

No patent data available for this compound.