CID 11545694
2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-n,n-diethylacetamide
Structural Information
- Molecular Formula
- C18H22ClN3O3S
- SMILES
- CCN(CC)C(=O)CC1=NC(=CC=C1)NS(=O)(=O)C2=C(C(=CC=C2)Cl)C
- InChI
- InChI=1S/C18H22ClN3O3S/c1-4-22(5-2)18(23)12-14-8-6-11-17(20-14)21-26(24,25)16-10-7-9-15(19)13(16)3/h6-11H,4-5,12H2,1-3H3,(H,20,21)
- InChIKey
- JNWQLOFSMUGRNY-UHFFFAOYSA-N
- Compound name
- 2-[6-[(3-chloro-2-methylphenyl)sulfonylamino]pyridin-2-yl]-N,N-diethylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.11431 | 190.8 |
[M+Na]+ | 418.09625 | 197.8 |
[M-H]- | 394.09975 | 197.6 |
[M+NH4]+ | 413.14085 | 202.2 |
[M+K]+ | 434.07019 | 192.6 |
[M+H-H2O]+ | 378.10429 | 182.5 |
[M+HCOO]- | 440.10523 | 203.8 |
[M+CH3COO]- | 454.12088 | 225.0 |
[M+Na-2H]- | 416.08170 | 192.0 |
[M]+ | 395.10648 | 197.9 |
[M]- | 395.10758 | 197.9 |