CID 3012794

Chembl359743

Structural Information

Molecular Formula
C18H23N3O4S
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)NS(=O)(=O)C)N(C)C)C
InChI
InChI=1S/C18H23N3O4S/c1-6-14-11(2)19-18(23)16(21(3)4)15(14)17(22)12-8-7-9-13(10-12)20-26(5,24)25/h7-10,20H,6H2,1-5H3,(H,19,23)
InChIKey
DHDMNSJWDCEJLB-UHFFFAOYSA-N
Compound name
N-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.14093 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14821 186.8
[M+Na]+ 400.13015 194.3
[M-H]- 376.13365 192.8
[M+NH4]+ 395.17475 197.5
[M+K]+ 416.10409 190.0
[M+H-H2O]+ 360.13819 178.3
[M+HCOO]- 422.13913 202.9
[M+CH3COO]- 436.15478 224.1
[M+Na-2H]- 398.11560 186.9
[M]+ 377.14038 191.5
[M]- 377.14148 191.5
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

No patent data available for this compound.