CID 3073938
8-((2-methoxy-3-(4-phenylpiperazin-1-yl)propyl)oxy)thiochroman
Structural Information
- Molecular Formula
- C23H30N2O2S
- SMILES
- COC(CN1CCN(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4
- InChI
- InChI=1S/C23H30N2O2S/c1-26-21(18-27-22-11-5-7-19-8-6-16-28-23(19)22)17-24-12-14-25(15-13-24)20-9-3-2-4-10-20/h2-5,7,9-11,21H,6,8,12-18H2,1H3
- InChIKey
- DNJMGTAFAQLFHE-UHFFFAOYSA-N
- Compound name
- 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylpiperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 399.21008 | 194.2 |
[M+Na]+ | 421.19202 | 195.9 |
[M-H]- | 397.19552 | 199.2 |
[M+NH4]+ | 416.23662 | 202.8 |
[M+K]+ | 437.16596 | 190.4 |
[M+H-H2O]+ | 381.20006 | 182.9 |
[M+HCOO]- | 443.20100 | 201.4 |
[M+CH3COO]- | 457.21665 | 200.4 |
[M+Na-2H]- | 419.17747 | 193.6 |
[M]+ | 398.20225 | 191.4 |
[M]- | 398.20335 | 191.4 |
Literature stripe
No literature data available for this compound.