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]+ 243.14918 155.7
[M+Na]+ 265.13112 163.7
[M-H]- 241.13462 160.1
[M+NH4]+ 260.17572 171.3
[M+K]+ 281.10506 158.3
[M+H-H2O]+ 225.13916 147.7
[M+HCOO]- 287.14010 178.4
[M+CH3COO]- 301.15575 194.7
[M+Na-2H]- 263.11657 161.1
[M]+ 242.14135 155.0
[M]- 242.14245 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.