CID 20054

4102-02-7

Structural Information

Molecular Formula
C16H24N2O4
SMILES
C1CCC(CC1)C2C(=O)NC(=O)N(C2=O)C3CCC(CC3)O
InChI
InChI=1S/C16H24N2O4/c19-12-8-6-11(7-9-12)18-15(21)13(14(20)17-16(18)22)10-4-2-1-3-5-10/h10-13,19H,1-9H2,(H,17,20,22)
InChIKey
YQPCSOXZKARXNV-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1-(4-hydroxycyclohexyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 176.2
[M+Na]+ 331.162818 178.2
[M-H]- 307.166324 178.5
[M+NH4]+ 326.207423 185.9
[M+K]+ 347.136758 173.6
[M+H-H2O]+ 291.170860 166.8
[M+HCOO]- 353.171801 183.6
[M+CH3COO]- 367.187451 200.5
[M+Na-2H]- 329.148266 172.2
[M]+ 308.17305142 163.5
[M]- 308.17414858 163.5
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.