CID 199554

4400-66-2

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC(C)CCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)O
InChI
InChI=1S/C15H24N2O4/c1-9(2)3-8-12-13(19)16-15(21)17(14(12)20)10-4-6-11(18)7-5-10/h9-12,18H,3-8H2,1-2H3,(H,16,19,21)
InChIKey
LXYKCFFPTGIOJS-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.180876 171.9
[M+Na]+ 319.162818 175.9
[M-H]- 295.166324 172.0
[M+NH4]+ 314.207423 183.0
[M+K]+ 335.136758 172.1
[M+H-H2O]+ 279.170860 164.0
[M+HCOO]- 341.171801 181.8
[M+CH3COO]- 355.187451 200.9
[M+Na-2H]- 317.148266 168.0
[M]+ 296.17305142 165.2
[M]- 296.17414858 165.2
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.