CID 3053143
1'-(3-chloro-4-methylphenyl)-(1,3'-bipyrrolidine)-2,2',5,5'-tetrone
Structural Information
- Molecular Formula
- C15H13ClN2O4
- SMILES
- CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3C(=O)CCC3=O)Cl
- InChI
- InChI=1S/C15H13ClN2O4/c1-8-2-3-9(6-10(8)16)17-14(21)7-11(15(17)22)18-12(19)4-5-13(18)20/h2-3,6,11H,4-5,7H2,1H3
- InChIKey
- FYRRAHISAIYDDN-UHFFFAOYSA-N
- Compound name
- 1-(3-chloro-4-methylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.06368 | 171.2 |
[M+Na]+ | 343.04562 | 181.9 |
[M-H]- | 319.04912 | 179.4 |
[M+NH4]+ | 338.09022 | 187.5 |
[M+K]+ | 359.01956 | 176.6 |
[M+H-H2O]+ | 303.05366 | 164.2 |
[M+HCOO]- | 365.05460 | 186.5 |
[M+CH3COO]- | 379.07025 | 205.0 |
[M+Na-2H]- | 341.03107 | 166.6 |
[M]+ | 320.05585 | 172.6 |
[M]- | 320.05695 | 172.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.