CID 486872

3-amino-5-ethyl-6-methyl-4-[(4-phenylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3)N)C
InChI
InChI=1S/C21H22N2O/c1-3-18-14(2)23-21(24)20(22)19(18)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,3,13,22H2,1-2H3,(H,23,24)
InChIKey
ASXJKZAVXXCANG-UHFFFAOYSA-N
Compound name
3-amino-5-ethyl-6-methyl-4-[(4-phenylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.7
[M+Na]+ 341.16244 187.1
[M-H]- 317.16594 185.8
[M+NH4]+ 336.20704 190.7
[M+K]+ 357.13638 179.5
[M+H-H2O]+ 301.17048 169.0
[M+HCOO]- 363.17142 199.8
[M+CH3COO]- 377.18707 189.1
[M+Na-2H]- 339.14789 180.7
[M]+ 318.17267 177.2
[M]- 318.17377 177.2
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.