CID 3061576

1-(3-(2,4-dibromophenyl)-3-phenyloxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H12Br2N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)Br)Br
InChI
InChI=1S/C17H12Br2N2O/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
ONLQUHJJIYRBCQ-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dibromophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.93164 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.93892 174.0
[M+Na]+ 440.92086 186.8
[M-H]- 416.92436 187.0
[M+NH4]+ 435.96546 185.7
[M+K]+ 456.89480 173.5
[M+H-H2O]+ 400.92890 181.7
[M+HCOO]- 462.92984 189.4
[M+CH3COO]- 476.94549 186.8
[M+Na-2H]- 438.90631 179.6
[M]+ 417.93109 209.9
[M]- 417.93219 209.9
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