CID 513589

1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-hydroxy-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H12N2O7
SMILES
C1=C(N(C(=O)NC1=O)[C@H]2C(C([C@H](O2)CO)O)O)O
InChI
InChI=1S/C9H12N2O7/c12-2-3-6(15)7(16)8(18-3)11-5(14)1-4(13)10-9(11)17/h1,3,6-8,12,14-16H,2H2,(H,10,13,17)/t3-,6?,7?,8-/m1/s1
InChIKey
IIBRCFNAIIZNOC-YJDGTBGRSA-N
Compound name
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06445 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07173 152.3
[M+Na]+ 283.05367 161.7
[M-H]- 259.05717 151.9
[M+NH4]+ 278.09827 163.8
[M+K]+ 299.02761 158.9
[M+H-H2O]+ 243.06171 146.0
[M+HCOO]- 305.06265 166.5
[M+CH3COO]- 319.07830 183.4
[M+Na-2H]- 281.03912 152.9
[M]+ 260.06390 151.1
[M]- 260.06500 151.1
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.