CID 478698

Chembl37915

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N(C)C
InChI
InChI=1S/C19H19N3O2/c1-4-22-12-16(19(24)21(2)3)18(23)15-6-5-14(11-17(15)22)13-7-9-20-10-8-13/h5-12H,4H2,1-3H3
InChIKey
VFINZOGORRVLHQ-UHFFFAOYSA-N
Compound name
1-ethyl-N,N-dimethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.14774 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.4
[M+Na]+ 344.136958 185.2
[M-H]- 320.140464 183.1
[M+NH4]+ 339.181563 189.4
[M+K]+ 360.110898 180.9
[M+H-H2O]+ 304.145000 166.1
[M+HCOO]- 366.145941 197.3
[M+CH3COO]- 380.161591 215.8
[M+Na-2H]- 342.122406 180.7
[M]+ 321.14719142 179.7
[M]- 321.14828858 179.7
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.