CID 486916

3-(diethylamino)-5-ethyl-6-methyl-4-(3-methylbenzoyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C)N(CC)CC)C
InChI
InChI=1S/C20H26N2O2/c1-6-16-14(5)21-20(24)18(22(7-2)8-3)17(16)19(23)15-11-9-10-13(4)12-15/h9-12H,6-8H2,1-5H3,(H,21,24)
InChIKey
NAZUWRBTSXADEP-UHFFFAOYSA-N
Compound name
3-(diethylamino)-5-ethyl-6-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 179.5
[M+Na]+ 349.18865 187.1
[M-H]- 325.19215 185.3
[M+NH4]+ 344.23325 192.6
[M+K]+ 365.16259 182.7
[M+H-H2O]+ 309.19669 170.7
[M+HCOO]- 371.19763 200.3
[M+CH3COO]- 385.21328 217.8
[M+Na-2H]- 347.17410 178.9
[M]+ 326.19888 182.7
[M]- 326.19998 182.7
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.