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

compound 2d structure
1
Annotation Hits

1
References

14
Patents

395.10703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe