CID 486841

Chembl369460

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC(=CC(=C1)CC2=C(C(=O)NC=C2)N(C)C)C
InChI
InChI=1S/C16H20N2O/c1-11-7-12(2)9-13(8-11)10-14-5-6-17-16(19)15(14)18(3)4/h5-9H,10H2,1-4H3,(H,17,19)
InChIKey
KNNXWVZMDDYOHE-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 159.8
[M+Na]+ 279.14678 168.4
[M-H]- 255.15028 165.9
[M+NH4]+ 274.19138 175.8
[M+K]+ 295.12072 164.3
[M+H-H2O]+ 239.15482 151.6
[M+HCOO]- 301.15576 182.6
[M+CH3COO]- 315.17141 202.3
[M+Na-2H]- 277.13223 163.2
[M]+ 256.15701 161.1
[M]- 256.15811 161.1
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.