CID 28737
Brn 1605299
Structural Information
- Molecular Formula
- C21H25ClN2O4
- SMILES
- COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=CC=CC=C3Cl
- InChI
- InChI=1S/C21H25ClN2O4/c1-26-19-12-15(13-20(27-2)21(19)28-3)18(25)14-23-8-10-24(11-9-23)17-7-5-4-6-16(17)22/h4-7,12-13H,8-11,14H2,1-3H3
- InChIKey
- RQNRHFFZESIVSE-UHFFFAOYSA-N
- Compound name
- 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 405.15758 | 195.2 |
[M+Na]+ | 427.13952 | 201.6 |
[M-H]- | 403.14302 | 201.5 |
[M+NH4]+ | 422.18412 | 203.8 |
[M+K]+ | 443.11346 | 196.8 |
[M+H-H2O]+ | 387.14756 | 184.3 |
[M+HCOO]- | 449.14850 | 206.7 |
[M+CH3COO]- | 463.16415 | 222.9 |
[M+Na-2H]- | 425.12497 | 194.0 |
[M]+ | 404.14975 | 199.2 |
[M]- | 404.15085 | 199.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.