CID 211958
23776-28-5
Structural Information
- Molecular Formula
- C22H25ClN2O5
- SMILES
- COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3Cl
- InChI
- InChI=1S/C22H25ClN2O5/c1-28-19-12-15(13-20(29-2)22(19)30-3)18(26)14-21(27)25-10-8-24(9-11-25)17-7-5-4-6-16(17)23/h4-7,12-13H,8-11,14H2,1-3H3
- InChIKey
- ZKVOTJVGDCFDCH-UHFFFAOYSA-N
- Compound name
- 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 433.15248 | 200.0 |
[M+Na]+ | 455.13442 | 205.8 |
[M-H]- | 431.13792 | 206.3 |
[M+NH4]+ | 450.17902 | 207.2 |
[M+K]+ | 471.10836 | 201.6 |
[M+H-H2O]+ | 415.14246 | 189.2 |
[M+HCOO]- | 477.14340 | 210.6 |
[M+CH3COO]- | 491.15905 | 227.6 |
[M+Na-2H]- | 453.11987 | 197.5 |
[M]+ | 432.14465 | 204.5 |
[M]- | 432.14575 | 204.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.