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]+ 323.13902 176.4
[M+Na]+ 345.12096 182.5
[M-H]- 321.12446 181.6
[M+NH4]+ 340.16556 186.4
[M+K]+ 361.09490 176.7
[M+H-H2O]+ 305.12900 166.1
[M+HCOO]- 367.12994 191.9
[M+CH3COO]- 381.14559 206.4
[M+Na-2H]- 343.10641 176.8
[M]+ 322.13119 172.4
[M]- 322.13229 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.