CID 199389

4102-01-6

Structural Information

Molecular Formula
C16H18N2O4
SMILES
C1CC(CCC1N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2O4/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/h1-5,11-13,19H,6-9H2,(H,17,20,22)
InChIKey
HRVVJJDUNHCKES-UHFFFAOYSA-N
Compound name
1-(4-hydroxycyclohexyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 171.6
[M+Na]+ 325.11587 183.0
[M+NH4]+ 320.16047 177.2
[M+K]+ 341.08981 177.5
[M-H]- 301.11937 174.1
[M+Na-2H]- 323.10132 176.1
[M]+ 302.12610 173.5
[M]- 302.12720 173.5
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.