CID 486908

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

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C)N)C
InChI
InChI=1S/C16H18N2O2/c1-4-12-10(3)18-16(20)14(17)13(12)15(19)11-7-5-6-9(2)8-11/h5-8H,4,17H2,1-3H3,(H,18,20)
InChIKey
ZWHOOYBDCWMXOS-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.0
[M+Na]+ 293.12606 172.3
[M-H]- 269.12956 167.7
[M+NH4]+ 288.17066 177.6
[M+K]+ 309.10000 167.1
[M+H-H2O]+ 253.13410 155.3
[M+HCOO]- 315.13504 184.1
[M+CH3COO]- 329.15069 202.0
[M+Na-2H]- 291.11151 164.1
[M]+ 270.13629 162.6
[M]- 270.13739 162.6
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.