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]+ 313.154676 176.5
[M+Na]+ 335.136618 180.4
[M-H]- 311.140124 179.3
[M+NH4]+ 330.181223 187.9
[M+K]+ 351.110558 173.8
[M+H-H2O]+ 295.144660 166.8
[M+HCOO]- 357.145601 187.8
[M+CH3COO]- 371.161251 198.4
[M+Na-2H]- 333.122066 176.9
[M]+ 312.14685142 165.9
[M]- 312.14794858 165.9
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.