CID 16075066

Chembl210951

Structural Information

Molecular Formula
C9H14N2O5
SMILES
CC1=CC(=O)NC(=O)N1COC(CO)CO
InChI
InChI=1S/C9H14N2O5/c1-6-2-8(14)10-9(15)11(6)5-16-7(3-12)4-13/h2,7,12-13H,3-5H2,1H3,(H,10,14,15)
InChIKey
CSWFOWFOIGXGMQ-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.09027 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09755 147.2
[M+Na]+ 253.07949 155.9
[M-H]- 229.08299 144.7
[M+NH4]+ 248.12409 160.7
[M+K]+ 269.05343 153.1
[M+H-H2O]+ 213.08753 140.3
[M+HCOO]- 275.08847 164.9
[M+CH3COO]- 289.10412 182.7
[M+Na-2H]- 251.06494 150.6
[M]+ 230.08972 148.8
[M]- 230.09082 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.