CID 2461

Bucolome

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)
InChIKey
DVEQCIBLXRSYPH-UHFFFAOYSA-N
Compound name
5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

7093
Patents

266.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 165.3
[M+Na]+ 289.15228 174.8
[M+NH4]+ 284.19688 171.0
[M+K]+ 305.12622 169.2
[M-H]- 265.15578 166.0
[M+Na-2H]- 287.13773 167.4
[M]+ 266.16251 166.4
[M]- 266.16361 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe