CID 6445247
Brn 0824783
Structural Information
- Molecular Formula
- C17H21ClN2O2
- SMILES
- CCCCC1(C(=O)NN(C1=O)C2=CC=CC=C2)C/C=C(/C)\Cl
- InChI
- InChI=1S/C17H21ClN2O2/c1-3-4-11-17(12-10-13(2)18)15(21)19-20(16(17)22)14-8-6-5-7-9-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,21)/b13-10-
- InChIKey
- RNNDFZXMSIXLTB-RAXLEYEMSA-N
- Compound name
- 4-butyl-4-[(Z)-3-chlorobut-2-enyl]-1-phenylpyrazolidine-3,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.13643 | 175.0 |
[M+Na]+ | 343.11837 | 182.7 |
[M-H]- | 319.12187 | 177.3 |
[M+NH4]+ | 338.16297 | 190.7 |
[M+K]+ | 359.09231 | 175.8 |
[M+H-H2O]+ | 303.12641 | 167.8 |
[M+HCOO]- | 365.12735 | 187.6 |
[M+CH3COO]- | 379.14300 | 202.8 |
[M+Na-2H]- | 341.10382 | 174.0 |
[M]+ | 320.12860 | 175.7 |
[M]- | 320.12970 | 175.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.