CID 478678

Chembl431129

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCCCCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N
InChI
InChI=1S/C20H21N3O2/c1-2-3-4-11-23-13-17(20(21)25)19(24)16-6-5-15(12-18(16)23)14-7-9-22-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H2,21,25)
InChIKey
LGPLZDSGMSFPNQ-UHFFFAOYSA-N
Compound name
4-oxo-1-pentyl-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

335.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.9
[M+Na]+ 358.15262 190.1
[M-H]- 334.15612 186.4
[M+NH4]+ 353.19722 193.3
[M+K]+ 374.12656 183.8
[M+H-H2O]+ 318.16066 171.6
[M+HCOO]- 380.16160 201.3
[M+CH3COO]- 394.17725 215.5
[M+Na-2H]- 356.13807 185.3
[M]+ 335.16285 183.3
[M]- 335.16395 183.3
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.