CID 46494

Barbituric acid, 5-ethyl-5-isopentyl-1-methyl-, sodium salt

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)CCC(C)C
InChI
InChI=1S/C12H20N2O3/c1-5-12(7-6-8(2)3)9(15)13-11(17)14(4)10(12)16/h8H,5-7H2,1-4H3,(H,13,15,17)
InChIKey
YWIUVCAWUTXGNE-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.154676 153.4
[M+Na]+ 263.136618 161.3
[M-H]- 239.140124 153.0
[M+NH4]+ 258.181223 170.3
[M+K]+ 279.110558 158.9
[M+H-H2O]+ 223.144660 147.8
[M+HCOO]- 285.145601 168.8
[M+CH3COO]- 299.161251 193.1
[M+Na-2H]- 261.122066 154.3
[M]+ 240.14685142 152.9
[M]- 240.14794858 152.9
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.