CID 486917

Chembl176207

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC1=CC(=CC=C1)C(=O)C2=C(C(=O)NC(=C2C)C)N(C)C
InChI
InChI=1S/C17H20N2O2/c1-10-7-6-8-13(9-10)16(20)14-11(2)12(3)18-17(21)15(14)19(4)5/h6-9H,1-5H3,(H,18,21)
InChIKey
NGUMNSHNNFHOPT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5,6-dimethyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 165.6
[M+Na]+ 307.14169 174.6
[M-H]- 283.14519 172.0
[M+NH4]+ 302.18629 180.4
[M+K]+ 323.11563 170.9
[M+H-H2O]+ 267.14973 157.5
[M+HCOO]- 329.15067 187.4
[M+CH3COO]- 343.16632 208.9
[M+Na-2H]- 305.12714 166.6
[M]+ 284.15192 167.8
[M]- 284.15302 167.8
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.