CID 3061565

1-(3-(2-chlorophenyl)-3-(4-phenoxyphenyl)oxiranyl)-1h-imidazole ethanedioate

Structural Information

Molecular Formula
C23H17ClN2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3(C(O3)N4C=CN=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C23H17ClN2O2/c24-21-9-5-4-8-20(21)23(22(28-23)26-15-14-25-16-26)17-10-12-19(13-11-17)27-18-6-2-1-3-7-18/h1-16,22H
InChIKey
DJMVZBYFEQHBIJ-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(4-phenoxyphenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

388.09787 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10515 195.1
[M+Na]+ 411.08709 215.6
[M+NH4]+ 406.13169 206.0
[M+K]+ 427.06103 206.2
[M-H]- 387.09059 212.2
[M+Na-2H]- 409.07254 211.5
[M]+ 388.09732 204.9
[M]- 388.09842 204.9
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