CID 486846

Chembl366120

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC=C2)N(C)C)C
InChI
InChI=1S/C17H22N2O/c1-5-14-12(2)18-17(20)16(19(3)4)15(14)11-13-9-7-6-8-10-13/h6-10H,5,11H2,1-4H3,(H,18,20)
InChIKey
ILAUZZSXWQHZLD-UHFFFAOYSA-N
Compound name
4-benzyl-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.4
[M+Na]+ 293.16244 172.6
[M-H]- 269.16594 170.3
[M+NH4]+ 288.20704 179.8
[M+K]+ 309.13638 168.3
[M+H-H2O]+ 253.17048 156.0
[M+HCOO]- 315.17142 186.9
[M+CH3COO]- 329.18707 205.3
[M+Na-2H]- 291.14789 167.2
[M]+ 270.17267 166.1
[M]- 270.17377 166.1
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.