CID 3012804

Chembl359749

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C=O)N(C)C)C
InChI
InChI=1S/C18H20N2O3/c1-5-14-11(2)19-18(23)16(20(3)4)15(14)17(22)13-8-6-7-12(9-13)10-21/h6-10H,5H2,1-4H3,(H,19,23)
InChIKey
RMWVPPAUBDAKSN-UHFFFAOYSA-N
Compound name
3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.0
[M+Na]+ 335.13662 180.6
[M-H]- 311.14012 178.3
[M+NH4]+ 330.18122 185.4
[M+K]+ 351.11056 176.8
[M+H-H2O]+ 295.14466 163.5
[M+HCOO]- 357.14560 193.9
[M+CH3COO]- 371.16125 213.3
[M+Na-2H]- 333.12207 172.6
[M]+ 312.14685 175.3
[M]- 312.14795 175.3
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.