CID 486866

Chembl361479

Structural Information

Molecular Formula
C17H21FN2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)F)N(C)C)C
InChI
InChI=1S/C17H21FN2O/c1-5-14-11(2)19-17(21)16(20(3)4)15(14)10-12-7-6-8-13(18)9-12/h6-9H,5,10H2,1-4H3,(H,19,21)
InChIKey
ZXNHJFRBSVUYDH-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-4-[(3-fluorophenyl)methyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1638 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17108 167.4
[M+Na]+ 311.15302 176.6
[M-H]- 287.15652 172.3
[M+NH4]+ 306.19762 182.3
[M+K]+ 327.12696 171.8
[M+H-H2O]+ 271.16106 158.2
[M+HCOO]- 333.16200 188.8
[M+CH3COO]- 347.17765 209.3
[M+Na-2H]- 309.13847 168.8
[M]+ 288.16325 168.4
[M]- 288.16435 168.4
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.