CID 516031

2-methyl-4-oxo-1-propyl-7-(4-pyridyl)quinoline-3-carboxamide

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCCN1C(=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N)C
InChI
InChI=1S/C19H19N3O2/c1-3-10-22-12(2)17(19(20)24)18(23)15-5-4-14(11-16(15)22)13-6-8-21-9-7-13/h4-9,11H,3,10H2,1-2H3,(H2,20,24)
InChIKey
TVGUQQJJVZOLDY-UHFFFAOYSA-N
Compound name
2-methyl-4-oxo-1-propyl-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 177.9
[M+Na]+ 344.136958 187.4
[M-H]- 320.140464 183.0
[M+NH4]+ 339.181563 190.2
[M+K]+ 360.110898 181.4
[M+H-H2O]+ 304.145000 168.0
[M+HCOO]- 366.145941 197.6
[M+CH3COO]- 380.161591 213.9
[M+Na-2H]- 342.122406 181.1
[M]+ 321.14719142 179.5
[M]- 321.14828858 179.5
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.