CID 3065943

109317-94-4

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3(C(=O)NC(=O)NC3=O)O
InChI
InChI=1S/C18H16N2O4/c21-15-18(24,16(22)20-17(23)19-15)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14,24H,11H2,(H2,19,20,21,22,23)
InChIKey
LOXSJDZKIHRBKC-UHFFFAOYSA-N
Compound name
5-(1,2-diphenylethyl)-5-hydroxy-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 176.0
[M+Na]+ 347.100218 181.7
[M-H]- 323.103724 178.7
[M+NH4]+ 342.144823 186.2
[M+K]+ 363.074158 175.5
[M+H-H2O]+ 307.108260 166.7
[M+HCOO]- 369.109201 189.1
[M+CH3COO]- 383.124851 199.5
[M+Na-2H]- 345.085666 178.1
[M]+ 324.11045142 169.6
[M]- 324.11154858 169.6
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.