CID 5274243

5-acetyl-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(=O)C1=CN(C(=O)NC1=O)CC=C(CO)CO
InChI
InChI=1S/C11H14N2O5/c1-7(16)9-4-13(11(18)12-10(9)17)3-2-8(5-14)6-15/h2,4,14-15H,3,5-6H2,1H3,(H,12,17,18)
InChIKey
MHJBXPJHVSFURA-UHFFFAOYSA-N
Compound name
5-acetyl-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.09027 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 153.6
[M+Na]+ 277.07949 161.8
[M-H]- 253.08299 151.0
[M+NH4]+ 272.12409 166.0
[M+K]+ 293.05343 157.9
[M+H-H2O]+ 237.08753 146.7
[M+HCOO]- 299.08847 170.1
[M+CH3COO]- 313.10412 187.4
[M+Na-2H]- 275.06494 154.8
[M]+ 254.08972 153.8
[M]- 254.09082 153.8
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.