CID 478709

Chembl287795

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NCCO
InChI
InChI=1S/C19H19N3O3/c1-2-22-12-16(19(25)21-9-10-23)18(24)15-4-3-14(11-17(15)22)13-5-7-20-8-6-13/h3-8,11-12,23H,2,9-10H2,1H3,(H,21,25)
InChIKey
HHIJPZACVRMZNP-UHFFFAOYSA-N
Compound name
1-ethyl-N-(2-hydroxyethyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

337.14264 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.9
[M+Na]+ 360.13186 187.9
[M-H]- 336.13536 183.7
[M+NH4]+ 355.17646 190.7
[M+K]+ 376.10580 182.1
[M+H-H2O]+ 320.13990 169.9
[M+HCOO]- 382.14084 198.9
[M+CH3COO]- 396.15649 212.4
[M+Na-2H]- 358.11731 184.6
[M]+ 337.14209 181.5
[M]- 337.14319 181.5
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.