CID 3065940

109317-84-2

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1=CC=C(C=C1)CC(C2C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3/c21-16-15(17(22)20-18(23)19-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,19,20,21,22,23)
InChIKey
DDYYUVJVLQNQKS-UHFFFAOYSA-N
Compound name
5-(1,2-diphenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 172.2
[M+Na]+ 331.105318 177.4
[M-H]- 307.108824 175.9
[M+NH4]+ 326.149923 181.8
[M+K]+ 347.079258 170.9
[M+H-H2O]+ 291.113360 162.2
[M+HCOO]- 353.114301 186.6
[M+CH3COO]- 367.129951 199.9
[M+Na-2H]- 329.090766 173.5
[M]+ 308.11555142 165.7
[M]- 308.11664858 165.7
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.