CID 486838

Chembl187786

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)C)C
InChI
InChI=1S/C18H24N2O/c1-6-15-13(3)19-18(21)17(20(4)5)16(15)11-14-9-7-8-12(2)10-14/h7-10H,6,11H2,1-5H3,(H,19,21)
InChIKey
NEBLDFGKOLEILH-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 168.7
[M+Na]+ 307.17809 177.4
[M-H]- 283.18159 174.9
[M+NH4]+ 302.22269 183.8
[M+K]+ 323.15203 172.9
[M+H-H2O]+ 267.18613 160.4
[M+HCOO]- 329.18707 190.8
[M+CH3COO]- 343.20272 209.6
[M+Na-2H]- 305.16354 170.3
[M]+ 284.18832 171.1
[M]- 284.18942 171.1
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.