CID 211550
23348-30-3
Structural Information
- Molecular Formula
- C22H22ClN3O
- SMILES
- C1CCN(C1)CCN2C(=O)C(=CC(=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4
- InChI
- InChI=1S/C22H22ClN3O/c23-19-10-6-9-18(15-19)21-16-20(17-7-2-1-3-8-17)22(27)26(24-21)14-13-25-11-4-5-12-25/h1-3,6-10,15-16H,4-5,11-14H2
- InChIKey
- VWGZPUJOGKORCR-UHFFFAOYSA-N
- Compound name
- 6-(3-chlorophenyl)-4-phenyl-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 380.15242 | 192.3 |
[M+Na]+ | 402.13436 | 200.3 |
[M-H]- | 378.13786 | 200.4 |
[M+NH4]+ | 397.17896 | 201.9 |
[M+K]+ | 418.10830 | 191.6 |
[M+H-H2O]+ | 362.14240 | 179.8 |
[M+HCOO]- | 424.14334 | 205.7 |
[M+CH3COO]- | 438.15899 | 201.2 |
[M+Na-2H]- | 400.11981 | 191.9 |
[M]+ | 379.14459 | 192.4 |
[M]- | 379.14569 | 192.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.