CID 11637356

Chembl210663

Structural Information

Molecular Formula
C9H14N2O6
SMILES
C1=C(C(=O)NC(=O)N1COC(CO)CO)CO
InChI
InChI=1S/C9H14N2O6/c12-2-6-1-11(9(16)10-8(6)15)5-17-7(3-13)4-14/h1,7,12-14H,2-5H2,(H,10,15,16)
InChIKey
IKKFZBLTLHIJJF-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-(hydroxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.08519 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09247 150.1
[M+Na]+ 269.07441 158.1
[M-H]- 245.07791 146.2
[M+NH4]+ 264.11901 162.1
[M+K]+ 285.04835 155.1
[M+H-H2O]+ 229.08245 143.1
[M+HCOO]- 291.08339 166.5
[M+CH3COO]- 305.09904 182.8
[M+Na-2H]- 267.05986 153.1
[M]+ 246.08464 151.3
[M]- 246.08574 151.3
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.