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 189.1
[M+Na]+ 411.08709 199.8
[M-H]- 387.09059 202.6
[M+NH4]+ 406.13169 195.5
[M+K]+ 427.06103 194.6
[M+H-H2O]+ 371.09513 178.3
[M+HCOO]- 433.09607 206.1
[M+CH3COO]- 447.11172 199.5
[M+Na-2H]- 409.07254 192.5
[M]+ 388.09732 195.1
[M]- 388.09842 195.1
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