CID 3067873
Brn 0835466
Structural Information
- Molecular Formula
- C20H21ClN2O2
- SMILES
- COC1=CC2=C(C=C1)OC(=C2)CN3CCN(CC3)C4=CC=CC=C4Cl
- InChI
- InChI=1S/C20H21ClN2O2/c1-24-16-6-7-20-15(12-16)13-17(25-20)14-22-8-10-23(11-9-22)19-5-3-2-4-18(19)21/h2-7,12-13H,8-11,14H2,1H3
- InChIKey
- BIPWCGLMKNXBIO-UHFFFAOYSA-N
- Compound name
- 1-(2-chlorophenyl)-4-[(5-methoxy-1-benzofuran-2-yl)methyl]piperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 357.13643 | 184.9 |
[M+Na]+ | 379.11837 | 193.8 |
[M-H]- | 355.12187 | 193.1 |
[M+NH4]+ | 374.16297 | 197.1 |
[M+K]+ | 395.09231 | 188.0 |
[M+H-H2O]+ | 339.12641 | 174.7 |
[M+HCOO]- | 401.12735 | 198.1 |
[M+CH3COO]- | 415.14300 | 195.2 |
[M+Na-2H]- | 377.10382 | 186.7 |
[M]+ | 356.12860 | 188.1 |
[M]- | 356.12970 | 188.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.