CID 3012791

Chembl426242

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N)N(C)C)C
InChI
InChI=1S/C17H21N3O2/c1-5-13-10(2)19-17(22)15(20(3)4)14(13)16(21)11-7-6-8-12(18)9-11/h6-9H,5,18H2,1-4H3,(H,19,22)
InChIKey
IBEGSASEBJLXKR-UHFFFAOYSA-N
Compound name
4-(3-aminobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 171.7
[M+Na]+ 322.15262 179.8
[M-H]- 298.15612 177.6
[M+NH4]+ 317.19722 185.3
[M+K]+ 338.12656 175.8
[M+H-H2O]+ 282.16066 163.2
[M+HCOO]- 344.16160 193.9
[M+CH3COO]- 358.17725 213.6
[M+Na-2H]- 320.13807 171.9
[M]+ 299.16285 172.2
[M]- 299.16395 172.2
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.