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
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 |
Literature stripe
No literature data available for this compound.