CID 213296
Fc 117
Structural Information
- Molecular Formula
- C21H29N2O2S
- SMILES
- CN(CC[N+]1(CCCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
- InChI
- InChI=1S/C21H29N2O2S/c1-22(13-16-23(2)14-7-4-8-15-23)20(24)21(25,19-12-9-17-26-19)18-10-5-3-6-11-18/h3,5-6,9-12,17,25H,4,7-8,13-16H2,1-2H3/q+1
- InChIKey
- PLTLFIHVPVLRTI-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 374.20226 | 189.2 |
[M+Na]+ | 396.18420 | 190.9 |
[M-H]- | 372.18770 | 196.2 |
[M+NH4]+ | 391.22880 | 202.8 |
[M+K]+ | 412.15814 | 181.6 |
[M+H-H2O]+ | 356.19224 | 183.6 |
[M+HCOO]- | 418.19318 | 200.5 |
[M+CH3COO]- | 432.20883 | 207.9 |
[M+Na-2H]- | 394.16965 | 191.5 |
[M]+ | 373.19443 | 185.7 |
[M]- | 373.19553 | 185.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.