CID 214858

34486-75-4

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(CC1=CC=CC=C1)N2C(=O)C(C(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-13(12-14-8-4-2-5-9-14)21-18(23)16(17(22)20-19(21)24)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,20,22,24)
InChIKey
FIISBCMKDKLGDI-UHFFFAOYSA-N
Compound name
5-phenyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 176.4
[M+Na]+ 345.120958 182.5
[M-H]- 321.124464 181.6
[M+NH4]+ 340.165563 186.4
[M+K]+ 361.094898 176.7
[M+H-H2O]+ 305.129000 166.1
[M+HCOO]- 367.129941 191.9
[M+CH3COO]- 381.145591 206.4
[M+Na-2H]- 343.106406 176.8
[M]+ 322.13119142 172.4
[M]- 322.13228858 172.4
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.