CID 3061587

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

Structural Information

Molecular Formula
C17H12I2N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)I)I
InChI
InChI=1S/C17H12I2N2O/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
GPSOEIDPMXRUQL-UHFFFAOYSA-N
Compound name
1-[3-(2,4-diiodophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

513.90393 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.91121 178.1
[M+Na]+ 536.89315 174.6
[M-H]- 512.89665 175.6
[M+NH4]+ 531.93775 179.1
[M+K]+ 552.86709 182.1
[M+H-H2O]+ 496.90119 163.8
[M+HCOO]- 558.90213 188.4
[M+CH3COO]- 572.91778 180.8
[M+Na-2H]- 534.87860 166.1
[M]+ 513.90338 175.9
[M]- 513.90448 175.9
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