CID 43605

5-ethyl-1-methyl-5-propylbarbituric acid

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCCC1(C(=O)NC(=O)N(C1=O)C)CC
InChI
InChI=1S/C10H16N2O3/c1-4-6-10(5-2)7(13)11-9(15)12(3)8(10)14/h4-6H2,1-3H3,(H,11,13,15)
InChIKey
IHVGYHBDBNNGHB-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 145.1
[M+Na]+ 235.10531 154.0
[M-H]- 211.10881 144.9
[M+NH4]+ 230.14991 163.1
[M+K]+ 251.07925 151.6
[M+H-H2O]+ 195.11335 139.6
[M+HCOO]- 257.11429 162.1
[M+CH3COO]- 271.12994 186.2
[M+Na-2H]- 233.09076 148.1
[M]+ 212.11554 144.5
[M]- 212.11664 144.5
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.