CID 3012792

Chembl362586

Structural Information

Molecular Formula
C21H29N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)N(CC)CC)N(C)C)C
InChI
InChI=1S/C21H29N3O2/c1-7-17-14(4)22-21(26)19(23(5)6)18(17)20(25)15-11-10-12-16(13-15)24(8-2)9-3/h10-13H,7-9H2,1-6H3,(H,22,26)
InChIKey
DNINLTILURXSPD-UHFFFAOYSA-N
Compound name
4-[3-(diethylamino)benzoyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.23326 188.4
[M+Na]+ 378.21520 194.8
[M-H]- 354.21870 195.4
[M+NH4]+ 373.25980 200.5
[M+K]+ 394.18914 191.7
[M+H-H2O]+ 338.22324 178.9
[M+HCOO]- 400.22418 210.3
[M+CH3COO]- 414.23983 229.3
[M+Na-2H]- 376.20065 186.9
[M]+ 355.22543 192.5
[M]- 355.22653 192.5
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.