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]+ 322.15502 176.4
[M+Na]+ 344.13696 185.2
[M-H]- 320.14046 183.1
[M+NH4]+ 339.18156 189.4
[M+K]+ 360.11090 180.9
[M+H-H2O]+ 304.14500 166.1
[M+HCOO]- 366.14594 197.3
[M+CH3COO]- 380.16159 215.8
[M+Na-2H]- 342.12241 180.7
[M]+ 321.14719 179.7
[M]- 321.14829 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.