CID 486915

3-amino-5,6-dimethyl-4-(3-methylbenzoyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1=CC(=CC=C1)C(=O)C2=C(C(=O)NC(=C2C)C)N
InChI
InChI=1S/C15H16N2O2/c1-8-5-4-6-11(7-8)14(18)12-9(2)10(3)17-15(19)13(12)16/h4-7H,16H2,1-3H3,(H,17,19)
InChIKey
CEJYYIOUSAYEFE-UHFFFAOYSA-N
Compound name
3-amino-5,6-dimethyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 158.5
[M+Na]+ 279.11042 168.2
[M-H]- 255.11392 163.3
[M+NH4]+ 274.15502 173.6
[M+K]+ 295.08436 163.2
[M+H-H2O]+ 239.11846 150.9
[M+HCOO]- 301.11940 179.8
[M+CH3COO]- 315.13505 199.0
[M+Na-2H]- 277.09587 160.1
[M]+ 256.12065 157.7
[M]- 256.12175 157.7
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.