CID 23873

1,3-dimethyl-5-ethylbarbituric acid

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCC1C(=O)N(C(=O)N(C1=O)C)C
InChI
InChI=1S/C8H12N2O3/c1-4-5-6(11)9(2)8(13)10(3)7(5)12/h5H,4H2,1-3H3
InChIKey
QBCQXNDNMOHQIU-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

624
Patents

184.0848 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 136.4
[M+Na]+ 207.07402 146.7
[M-H]- 183.07752 138.0
[M+NH4]+ 202.11862 154.6
[M+K]+ 223.04796 145.3
[M+H-H2O]+ 167.08206 130.4
[M+HCOO]- 229.08300 155.6
[M+CH3COO]- 243.09865 184.4
[M+Na-2H]- 205.05947 138.9
[M]+ 184.08425 137.0
[M]- 184.08535 137.0
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.