CID 24187

7548-65-4

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC(C2CCCCC2)O
InChI
InChI=1S/C14H22N2O4/c1-2-14(11(18)15-13(20)16-12(14)19)8-10(17)9-6-4-3-5-7-9/h9-10,17H,2-8H2,1H3,(H2,15,16,18,19,20)
InChIKey
IVLKMPFIHGOSCI-UHFFFAOYSA-N
Compound name
5-(2-cyclohexyl-2-hydroxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 168.1
[M+Na]+ 305.147178 171.4
[M-H]- 281.150684 166.6
[M+NH4]+ 300.191783 180.6
[M+K]+ 321.121118 167.3
[M+H-H2O]+ 265.155220 161.0
[M+HCOO]- 327.156161 176.9
[M+CH3COO]- 341.171811 192.5
[M+Na-2H]- 303.132626 167.0
[M]+ 282.15741142 158.8
[M]- 282.15850858 158.8
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.