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]+ 325.11828 176.0
[M+Na]+ 347.10022 181.7
[M-H]- 323.10372 178.7
[M+NH4]+ 342.14482 186.2
[M+K]+ 363.07416 175.5
[M+H-H2O]+ 307.10826 166.7
[M+HCOO]- 369.10920 189.1
[M+CH3COO]- 383.12485 199.5
[M+Na-2H]- 345.08567 178.1
[M]+ 324.11045 169.6
[M]- 324.11155 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.