CID 122197277

5-(3,4-dihydroxy-1,5-cyclohexadien-1-yl)-5-ethyl-2,4,6(1h,3h,5h)-pyrimidinetrione

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC(C(C=C2)O)O
InChI
InChI=1S/C12H14N2O5/c1-2-12(6-3-4-7(15)8(16)5-6)9(17)13-11(19)14-10(12)18/h3-5,7-8,15-16H,2H2,1H3,(H2,13,14,17,18,19)
InChIKey
UGFLLWMLFCOVBY-UHFFFAOYSA-N
Compound name
5-(3,4-dihydroxycyclohexa-1,5-dien-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09027 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 160.0
[M+Na]+ 289.07949 169.6
[M+NH4]+ 284.12409 165.3
[M+K]+ 305.05343 164.7
[M-H]- 265.08299 158.6
[M+Na-2H]- 287.06494 163.1
[M]+ 266.08972 160.5
[M]- 266.09082 160.5
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.