CID 5274242

5-acetyl-1-[(e)-4,5-dihydroxypent-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(=O)C1=CN(C(=O)NC1=O)C/C=C/C(CO)O
InChI
InChI=1S/C11H14N2O5/c1-7(15)9-5-13(11(18)12-10(9)17)4-2-3-8(16)6-14/h2-3,5,8,14,16H,4,6H2,1H3,(H,12,17,18)/b3-2+
InChIKey
FOIOENPVEFCMQS-NSCUHMNNSA-N
Compound name
5-acetyl-1-[(E)-4,5-dihydroxypent-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]+ 255.097546 153.6
[M+Na]+ 277.079488 161.8
[M-H]- 253.082994 151.0
[M+NH4]+ 272.124093 166.0
[M+K]+ 293.053428 157.9
[M+H-H2O]+ 237.087530 146.7
[M+HCOO]- 299.088471 170.1
[M+CH3COO]- 313.104121 187.4
[M+Na-2H]- 275.064936 154.8
[M]+ 254.08972142 153.8
[M]- 254.09081858 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.