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 176.5
[M+Na]+ 335.13662 180.4
[M-H]- 311.14012 179.3
[M+NH4]+ 330.18122 187.9
[M+K]+ 351.11056 173.8
[M+H-H2O]+ 295.14466 166.8
[M+HCOO]- 357.14560 187.8
[M+CH3COO]- 371.16125 198.4
[M+Na-2H]- 333.12207 176.9
[M]+ 312.14685 165.9
[M]- 312.14795 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.