CID 478677

Chembl290311

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N
InChI
InChI=1S/C19H19N3O2/c1-2-3-10-22-12-16(19(20)24)18(23)15-5-4-14(11-17(15)22)13-6-8-21-9-7-13/h4-9,11-12H,2-3,10H2,1H3,(H2,20,24)
InChIKey
BOUZECHVUWHKBK-UHFFFAOYSA-N
Compound name
1-butyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

321.14774 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.4
[M+Na]+ 344.13696 186.0
[M-H]- 320.14046 182.1
[M+NH4]+ 339.18156 189.4
[M+K]+ 360.11090 179.9
[M+H-H2O]+ 304.14500 167.3
[M+HCOO]- 366.14594 197.1
[M+CH3COO]- 380.16159 212.6
[M+Na-2H]- 342.12241 181.4
[M]+ 321.14719 178.5
[M]- 321.14829 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.