CID 3057798
1-phenyl-4-(4-piperonyl-1-piperazinylcarbonyl)-2-pyrrolidinone hydrochloride
Structural Information
- Molecular Formula
- C23H25N3O4
- SMILES
- C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5
- InChI
- InChI=1S/C23H25N3O4/c27-22-13-18(15-26(22)19-4-2-1-3-5-19)23(28)25-10-8-24(9-11-25)14-17-6-7-20-21(12-17)30-16-29-20/h1-7,12,18H,8-11,13-16H2
- InChIKey
- QDBWBEKNARMMKG-UHFFFAOYSA-N
- Compound name
- 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 408.19178 | 196.5 |
[M+Na]+ | 430.17372 | 200.3 |
[M-H]- | 406.17722 | 206.4 |
[M+NH4]+ | 425.21832 | 203.5 |
[M+K]+ | 446.14766 | 197.5 |
[M+H-H2O]+ | 390.18176 | 186.0 |
[M+HCOO]- | 452.18270 | 207.2 |
[M+CH3COO]- | 466.19835 | 204.1 |
[M+Na-2H]- | 428.15917 | 191.7 |
[M]+ | 407.18395 | 193.0 |
[M]- | 407.18505 | 193.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.