CID 3012799

Chembl182707

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)CNC(=O)C)N(C)C)C
InChI
InChI=1S/C20H25N3O3/c1-6-16-12(2)22-20(26)18(23(4)5)17(16)19(25)15-9-7-8-14(10-15)11-21-13(3)24/h7-10H,6,11H2,1-5H3,(H,21,24)(H,22,26)
InChIKey
HNIINHYMVXSHHT-UHFFFAOYSA-N
Compound name
N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1896 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 186.2
[M+Na]+ 378.17882 192.7
[M-H]- 354.18232 192.1
[M+NH4]+ 373.22342 197.4
[M+K]+ 394.15276 189.2
[M+H-H2O]+ 338.18686 177.0
[M+HCOO]- 400.18780 207.3
[M+CH3COO]- 414.20345 224.8
[M+Na-2H]- 376.16427 184.9
[M]+ 355.18905 188.7
[M]- 355.19015 188.7
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.