CID 24185

7548-62-1

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C)O)CC
InChI
InChI=1S/C11H18N2O4/c1-4-11(5-2)8(15)12-10(17)13(9(11)16)6-7(3)14/h7,14H,4-6H2,1-3H3,(H,12,15,17)
InChIKey
WBDWNFARRGKJHH-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(2-hydroxypropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 153.1
[M+Na]+ 265.115878 160.8
[M-H]- 241.119384 151.3
[M+NH4]+ 260.160483 169.0
[M+K]+ 281.089818 158.3
[M+H-H2O]+ 225.123920 147.7
[M+HCOO]- 287.124861 167.4
[M+CH3COO]- 301.140511 189.9
[M+Na-2H]- 263.101326 154.0
[M]+ 242.12611142 151.8
[M]- 242.12720858 151.8
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.