CID 493092
Chembl46381
Structural Information
- Molecular Formula
- C25H27N3O2
- SMILES
- C1CN(C(=O)N1CCCCCOC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC=C4
- InChI
- InChI=1S/C25H27N3O2/c29-25-27(18-19-28(25)23-13-15-26-16-14-23)17-5-2-6-20-30-24-11-9-22(10-12-24)21-7-3-1-4-8-21/h1,3-4,7-16H,2,5-6,17-20H2
- InChIKey
- SOIBWQCHMCSSBA-UHFFFAOYSA-N
- Compound name
- 1-[5-(4-phenylphenoxy)pentyl]-3-pyridin-4-ylimidazolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 402.21761 | 199.6 |
[M+Na]+ | 424.19955 | 204.3 |
[M-H]- | 400.20305 | 207.1 |
[M+NH4]+ | 419.24415 | 206.8 |
[M+K]+ | 440.17349 | 197.0 |
[M+H-H2O]+ | 384.20759 | 186.2 |
[M+HCOO]- | 446.20853 | 216.9 |
[M+CH3COO]- | 460.22418 | 207.2 |
[M+Na-2H]- | 422.18500 | 199.2 |
[M]+ | 401.20978 | 199.3 |
[M]- | 401.21088 | 199.3 |
Literature stripe
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