CID 486960

Chembl182851

Structural Information

Molecular Formula
C24H26N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)COC3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C24H26N2O3/c1-5-20-16(2)25-24(28)22(26(3)4)21(20)23(27)18-11-9-10-17(14-18)15-29-19-12-7-6-8-13-19/h6-14H,5,15H2,1-4H3,(H,25,28)
InChIKey
DUEZQUINJRAGCV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(phenoxymethyl)benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.19434 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.20162 196.0
[M+Na]+ 413.18356 202.6
[M-H]- 389.18706 204.6
[M+NH4]+ 408.22816 205.5
[M+K]+ 429.15750 197.7
[M+H-H2O]+ 373.19160 185.1
[M+HCOO]- 435.19254 216.7
[M+CH3COO]- 449.20819 227.8
[M+Na-2H]- 411.16901 195.7
[M]+ 390.19379 199.1
[M]- 390.19489 199.1
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.