CID 3061578

1-(3-(2,4-difluorophenyl)-3-phenyloxiranyl)-1h-imidazole ethanedioate

Structural Information

Molecular Formula
C17H12F2N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C17H12F2N2O/c18-13-6-7-14(15(19)10-13)17(12-4-2-1-3-5-12)16(22-17)21-9-8-20-11-21/h1-11,16H
InChIKey
DPQKPJCXCKQITJ-UHFFFAOYSA-N
Compound name
1-[3-(2,4-difluorophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

298.09177 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09905 175.0
[M+Na]+ 321.08099 190.4
[M+NH4]+ 316.12559 183.9
[M+K]+ 337.05493 183.8
[M-H]- 297.08449 186.3
[M+Na-2H]- 319.06644 187.2
[M]+ 298.09122 181.7
[M]- 298.09232 181.7
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

patents stripe