CID 493094
Chembl297055
Structural Information
- Molecular Formula
- C25H26N4O4
- SMILES
- C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=NC=C4
- InChI
- InChI=1S/C25H26N4O4/c30-25-27(17-18-28(25)22-12-14-26-15-13-22)16-2-1-3-19-33-24-10-6-21(7-11-24)20-4-8-23(9-5-20)29(31)32/h4-15H,1-3,16-19H2
- InChIKey
- HRWNVPVRWKRHAY-UHFFFAOYSA-N
- Compound name
- 1-[5-[4-(4-nitrophenyl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 447.20268 | 209.1 |
[M+Na]+ | 469.18462 | 211.7 |
[M-H]- | 445.18812 | 217.0 |
[M+NH4]+ | 464.22922 | 213.3 |
[M+K]+ | 485.15856 | 201.3 |
[M+H-H2O]+ | 429.19266 | 199.8 |
[M+HCOO]- | 491.19360 | 227.0 |
[M+CH3COO]- | 505.20925 | 224.7 |
[M+Na-2H]- | 467.17007 | 210.6 |
[M]+ | 446.19485 | 207.4 |
[M]- | 446.19595 | 207.4 |
Literature stripe
Patent stripe
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