CID 3041970
Cdri 71-153
Structural Information
- Molecular Formula
- C38H41N3O2
- SMILES
- C1CN(CCC1(C2=CC=CC=C2)O)CC3=C4C=CC=CN4C(=C3C5=CC=CC=C5)CN6CCC(CC6)(C7=CC=CC=C7)O
- InChI
- InChI=1S/C38H41N3O2/c42-37(31-14-6-2-7-15-31)19-24-39(25-20-37)28-33-34-18-10-11-23-41(34)35(36(33)30-12-4-1-5-13-30)29-40-26-21-38(43,22-27-40)32-16-8-3-9-17-32/h1-18,23,42-43H,19-22,24-29H2
- InChIKey
- BFXUXSQGSZBDKD-UHFFFAOYSA-N
- Compound name
- 1-[[3-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-2-phenylindolizin-1-yl]methyl]-4-phenylpiperidin-4-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 572.32718 | 242.8 |
[M+Na]+ | 594.30912 | 244.9 |
[M-H]- | 570.31262 | 253.2 |
[M+NH4]+ | 589.35372 | 245.1 |
[M+K]+ | 610.28306 | 234.8 |
[M+H-H2O]+ | 554.31716 | 224.6 |
[M+HCOO]- | 616.31810 | 249.6 |
[M+CH3COO]- | 630.33375 | 245.1 |
[M+Na-2H]- | 592.29457 | 238.9 |
[M]+ | 571.31935 | 234.0 |
[M]- | 571.32045 | 234.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.