CID 3012793

Chembl359490

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)NC(=O)C)N(C)C)C
InChI
InChI=1S/C19H23N3O3/c1-6-15-11(2)20-19(25)17(22(4)5)16(15)18(24)13-8-7-9-14(10-13)21-12(3)23/h7-10H,6H2,1-5H3,(H,20,25)(H,21,23)
InChIKey
LNHVRQGFZBHYSO-UHFFFAOYSA-N
Compound name
N-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.17395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 181.6
[M+Na]+ 364.16317 188.6
[M-H]- 340.16667 187.7
[M+NH4]+ 359.20777 193.5
[M+K]+ 380.13711 185.3
[M+H-H2O]+ 324.17121 172.7
[M+HCOO]- 386.17215 203.1
[M+CH3COO]- 400.18780 221.8
[M+Na-2H]- 362.14862 180.9
[M]+ 341.17340 183.8
[M]- 341.17450 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.