CID 3059513

76696-79-2

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1C(CN2C1=NC(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O/c21-18-17(14-9-5-2-6-10-14)19-16-11-15(12-20(16)18)13-7-3-1-4-8-13/h1-10,15,17H,11-12H2
InChIKey
YQNBIXHEMKKJLK-UHFFFAOYSA-N
Compound name
2,6-diphenyl-2,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 164.9
[M+Na]+ 299.11547 179.4
[M+NH4]+ 294.16007 174.2
[M+K]+ 315.08941 174.5
[M-H]- 275.11897 170.5
[M+Na-2H]- 297.10092 173.4
[M]+ 276.12570 168.6
[M]- 276.12680 168.6
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.