CID 28339

17148-43-5

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(=O)CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C14H20N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h10-11H,2-8H2,1H3,(H,15,18,20)
InChIKey
OLQWIHDEPVAPJQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(3-oxobutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.1423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.4
[M+Na]+ 303.131518 169.7
[M-H]- 279.135024 166.7
[M+NH4]+ 298.176123 177.5
[M+K]+ 319.105458 166.3
[M+H-H2O]+ 263.139560 157.2
[M+HCOO]- 325.140501 177.4
[M+CH3COO]- 339.156151 198.1
[M+Na-2H]- 301.116966 163.3
[M]+ 280.14175142 159.1
[M]- 280.14284858 159.1
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

patents stripe