CID 48429

Brn 0235293

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C(C)(C)CC)CC
InChI
InChI=1S/C13H22N2O3/c1-6-12(4,5)15-10(17)13(7-2,8-3)9(16)14-11(15)18/h6-8H2,1-5H3,(H,14,16,18)
InChIKey
FTNKYOPECSBLHC-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(2-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 158.1
[M+Na]+ 277.15226 166.2
[M-H]- 253.15576 157.7
[M+NH4]+ 272.19686 174.6
[M+K]+ 293.12620 163.6
[M+H-H2O]+ 237.16030 153.0
[M+HCOO]- 299.16124 172.6
[M+CH3COO]- 313.17689 195.6
[M+Na-2H]- 275.13771 160.7
[M]+ 254.16249 158.2
[M]- 254.16359 158.2
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.