CID 48431

66940-83-8

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C(C)C(C)C)CC
InChI
InChI=1S/C13H22N2O3/c1-6-13(7-2)10(16)14-12(18)15(11(13)17)9(5)8(3)4/h8-9H,6-7H2,1-5H3,(H,14,16,18)
InChIKey
IJLCAGWNTNUBGN-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(3-methylbutan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 157.1
[M+Na]+ 277.152258 164.3
[M-H]- 253.155764 156.6
[M+NH4]+ 272.196863 173.4
[M+K]+ 293.126198 162.3
[M+H-H2O]+ 237.160300 151.7
[M+HCOO]- 299.161241 171.2
[M+CH3COO]- 313.176891 197.0
[M+Na-2H]- 275.137706 156.4
[M]+ 254.16249142 156.4
[M]- 254.16358858 156.4
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.