CID 3012806

Chembl434518

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)CC#N)N(C)C)C
InChI
InChI=1S/C19H21N3O2/c1-5-15-12(2)21-19(24)17(22(3)4)16(15)18(23)14-8-6-7-13(11-14)9-10-20/h6-8,11H,5,9H2,1-4H3,(H,21,24)
InChIKey
FGYAUCAXQBHSEJ-UHFFFAOYSA-N
Compound name
2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 180.0
[M+Na]+ 346.15262 189.5
[M-H]- 322.15612 184.3
[M+NH4]+ 341.19722 191.3
[M+K]+ 362.12656 184.4
[M+H-H2O]+ 306.16066 164.8
[M+HCOO]- 368.16160 197.2
[M+CH3COO]- 382.17725 224.7
[M+Na-2H]- 344.13807 179.2
[M]+ 323.16285 176.8
[M]- 323.16395 176.8
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.