CID 481009

3-amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC(=C2)C)C)N)C
InChI
InChI=1S/C17H20N2O2/c1-5-13-11(4)19-17(21)15(18)14(13)16(20)12-7-9(2)6-10(3)8-12/h6-8H,5,18H2,1-4H3,(H,19,21)
InChIKey
QLEXSWQYUHOSAR-UHFFFAOYSA-N
Compound name
3-amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 167.4
[M+Na]+ 307.14169 177.1
[M-H]- 283.14519 172.2
[M+NH4]+ 302.18629 181.6
[M+K]+ 323.11563 171.8
[M+H-H2O]+ 267.14973 159.7
[M+HCOO]- 329.15067 188.0
[M+CH3COO]- 343.16632 206.3
[M+Na-2H]- 305.12714 167.2
[M]+ 284.15192 167.7
[M]- 284.15302 167.7
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.