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 165.2
[M+Na]+ 330.08492 174.0
[M-H]- 306.08842 176.8
[M+NH4]+ 325.12952 173.5
[M+K]+ 346.05886 167.0
[M+H-H2O]+ 290.09296 160.5
[M+HCOO]- 352.09390 188.4
[M+CH3COO]- 366.10955 199.1
[M+Na-2H]- 328.07037 173.5
[M]+ 307.09515 166.9
[M]- 307.09625 166.9
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