CID 13294

841-72-5

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCC(C)C1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C14H22N2O3/c1-3-9(2)11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKey
IIZVQKTYLZFJCU-UHFFFAOYSA-N
Compound name
5-butan-2-yl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 164.3
[M+Na]+ 289.152278 168.5
[M-H]- 265.155784 165.7
[M+NH4]+ 284.196883 177.2
[M+K]+ 305.126218 165.1
[M+H-H2O]+ 249.160320 156.2
[M+HCOO]- 311.161261 175.9
[M+CH3COO]- 325.176911 196.6
[M+Na-2H]- 287.137726 162.0
[M]+ 266.16251142 157.2
[M]- 266.16360858 157.2
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.