CID 486840

3-amino-4-[(3,5-dimethylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC=C2)N)C
InChI
InChI=1S/C14H16N2O/c1-9-5-10(2)7-11(6-9)8-12-3-4-16-14(17)13(12)15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKey
YTBCEUDQWHWROL-UHFFFAOYSA-N
Compound name
3-amino-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.0
[M+Na]+ 251.11549 161.4
[M-H]- 227.11899 156.5
[M+NH4]+ 246.16009 168.2
[M+K]+ 267.08943 156.0
[M+H-H2O]+ 211.12353 144.5
[M+HCOO]- 273.12447 174.4
[M+CH3COO]- 287.14012 192.4
[M+Na-2H]- 249.10094 156.1
[M]+ 228.12572 150.4
[M]- 228.12682 150.4
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.