CID 71313372
Amisulpride n-oxide
Structural Information
- Molecular Formula
- C17H27N3O5S
- SMILES
- CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-]
- InChI
- InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
- InChIKey
- LLIKIPAUZJTRGB-UHFFFAOYSA-N
- Compound name
- 4-amino-N-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 386.17442 | 185.4 |
[M+Na]+ | 408.15636 | 189.9 |
[M-H]- | 384.15986 | 188.6 |
[M+NH4]+ | 403.20096 | 198.2 |
[M+K]+ | 424.13030 | 181.1 |
[M+H-H2O]+ | 368.16440 | 183.7 |
[M+HCOO]- | 430.16534 | 199.2 |
[M+CH3COO]- | 444.18099 | 209.1 |
[M+Na-2H]- | 406.14181 | 187.7 |
[M]+ | 385.16659 | 184.5 |
[M]- | 385.16769 | 184.5 |
Literature stripe
Patent stripe
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