CID 454349

Chembl86064

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2)C
InChI
InChI=1S/C15H18N2O/c1-3-13-9-14(15(18)17-11(13)2)16-10-12-7-5-4-6-8-12/h4-9,16H,3,10H2,1-2H3,(H,17,18)
InChIKey
HEQCOEDABQUKBA-UHFFFAOYSA-N
Compound name
3-(benzylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 155.7
[M+Na]+ 265.131118 163.7
[M-H]- 241.134624 160.1
[M+NH4]+ 260.175723 171.3
[M+K]+ 281.105058 158.3
[M+H-H2O]+ 225.139160 147.7
[M+HCOO]- 287.140101 178.4
[M+CH3COO]- 301.155751 194.7
[M+Na-2H]- 263.116566 161.1
[M]+ 242.14135142 155.0
[M]- 242.14244858 155.0
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.