CID 34189

28239-47-6

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCCC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC
InChI
InChI=1S/C13H22N2O3/c1-6-8-9(3)13(7-2)10(16)14(4)12(18)15(5)11(13)17/h9H,6-8H2,1-5H3
InChIKey
VZZFPHAKJNPXQY-UHFFFAOYSA-N
Compound name
5-ethyl-1,3-dimethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 155.1
[M+Na]+ 277.152258 163.9
[M-H]- 253.155764 156.3
[M+NH4]+ 272.196863 172.5
[M+K]+ 293.126198 162.2
[M+H-H2O]+ 237.160300 149.5
[M+HCOO]- 299.161241 171.7
[M+CH3COO]- 313.176891 199.9
[M+Na-2H]- 275.137706 155.6
[M]+ 254.16249142 157.3
[M]- 254.16358858 157.3
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.