CID 48404

Brn 0300522

Structural Information

Molecular Formula
C18H20N2O3
SMILES
C1CCC(=CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3)CC1
InChI
InChI=1S/C18H20N2O3/c21-15-18(14-9-5-2-6-10-14,16(22)20-17(23)19-15)12-11-13-7-3-1-4-8-13/h2,5-6,9-11H,1,3-4,7-8,12H2,(H2,19,20,21,22,23)
InChIKey
FKOWNCWHGSPKPZ-UHFFFAOYSA-N
Compound name
5-(2-cyclohexylideneethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 177.1
[M+Na]+ 335.13662 188.0
[M+NH4]+ 330.18122 184.1
[M+K]+ 351.11056 179.3
[M-H]- 311.14012 179.6
[M+Na-2H]- 333.12207 183.4
[M]+ 312.14685 179.0
[M]- 312.14795 179.0
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.