CID 6446863
Brn 0585540
Structural Information
- Molecular Formula
- C32H44N2
- SMILES
- CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C)/C)C
- InChI
- InChI=1S/C32H44N2/c1-27(2)13-11-14-28(3)15-12-16-29(4)21-22-33-23-25-34(26-24-33)32(30-17-7-5-8-18-30)31-19-9-6-10-20-31/h5-10,13,15,17-21,32H,11-12,14,16,22-26H2,1-4H3/b28-15+,29-21+
- InChIKey
- XMOWVLHMFJIWSB-LPHIZMPDSA-N
- Compound name
- 1-benzhydryl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 457.35774 | 222.3 |
[M+Na]+ | 479.33968 | 219.9 |
[M-H]- | 455.34318 | 225.3 |
[M+NH4]+ | 474.38428 | 226.6 |
[M+K]+ | 495.31362 | 211.5 |
[M+H-H2O]+ | 439.34772 | 209.6 |
[M+HCOO]- | 501.34866 | 231.2 |
[M+CH3COO]- | 515.36431 | 237.5 |
[M+Na-2H]- | 477.32513 | 215.0 |
[M]+ | 456.34991 | 216.9 |
[M]- | 456.35101 | 216.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.