CID 792793
55436-43-6
Structural Information
- Molecular Formula
- C21H24N2O2
- SMILES
- C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4
- InChI
- InChI=1S/C21H24N2O2/c1-2-5-18(6-3-1)7-4-10-22-11-13-23(14-12-22)16-19-8-9-20-21(15-19)25-17-24-20/h1-9,15H,10-14,16-17H2/b7-4+
- InChIKey
- RLPQFLZZBZUEOL-QPJJXVBHSA-N
- Compound name
- 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 337.19106 | 182.0 |
[M+Na]+ | 359.17300 | 186.4 |
[M-H]- | 335.17650 | 189.4 |
[M+NH4]+ | 354.21760 | 192.0 |
[M+K]+ | 375.14694 | 182.6 |
[M+H-H2O]+ | 319.18104 | 171.4 |
[M+HCOO]- | 381.18198 | 196.1 |
[M+CH3COO]- | 395.19763 | 190.8 |
[M+Na-2H]- | 357.15845 | 183.8 |
[M]+ | 336.18323 | 179.4 |
[M]- | 336.18433 | 179.4 |
Literature stripe
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