CID 454796

Chembl439655

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=CC=CC=N2)C
InChI
InChI=1S/C15H18N2O/c1-3-12-10-13(15(18)17-11(12)2)7-8-14-6-4-5-9-16-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18)
InChIKey
BZSUGNSPDPOGES-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(2-pyridin-2-ylethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.5
[M+Na]+ 265.13112 165.4
[M-H]- 241.13462 159.5
[M+NH4]+ 260.17572 171.0
[M+K]+ 281.10506 159.8
[M+H-H2O]+ 225.13916 147.9
[M+HCOO]- 287.14010 176.8
[M+CH3COO]- 301.15575 192.5
[M+Na-2H]- 263.11657 161.5
[M]+ 242.14135 157.0
[M]- 242.14245 157.0
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.