CID 3061558

1-(3-(4-nitrophenyl)-3-phenyloxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H13N3O3
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3/c21-20(22)15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)16(23-17)19-11-10-18-12-19/h1-12,16H
InChIKey
IXQJYZMAPCCSED-UHFFFAOYSA-N
Compound name
1-[3-(4-nitrophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.0957 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 175.0
[M+Na]+ 330.08492 192.6
[M+NH4]+ 325.12952 184.9
[M+K]+ 346.05886 188.4
[M-H]- 306.08842 190.6
[M+Na-2H]- 328.07037 188.8
[M]+ 307.09515 183.3
[M]- 307.09625 183.3
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