CID 3053113
Fc 118
Structural Information
- Molecular Formula
- C19H30N2O2S
- SMILES
- CN(CCN1CCCC1)C(=O)C(C2CCCCC2)(C3=CC=CS3)O
- InChI
- InChI=1S/C19H30N2O2S/c1-20(13-14-21-11-5-6-12-21)18(22)19(23,17-10-7-15-24-17)16-8-3-2-4-9-16/h7,10,15-16,23H,2-6,8-9,11-14H2,1H3
- InChIKey
- JNGSSFXGZCVKPS-UHFFFAOYSA-N
- Compound name
- 2-cyclohexyl-2-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 351.21008 | 187.2 |
[M+Na]+ | 373.19202 | 187.3 |
[M-H]- | 349.19552 | 193.8 |
[M+NH4]+ | 368.23662 | 201.7 |
[M+K]+ | 389.16596 | 185.0 |
[M+H-H2O]+ | 333.20006 | 179.6 |
[M+HCOO]- | 395.20100 | 197.7 |
[M+CH3COO]- | 409.21665 | 210.3 |
[M+Na-2H]- | 371.17747 | 182.2 |
[M]+ | 350.20225 | 183.0 |
[M]- | 350.20335 | 183.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.