CID 54688493

Chembl40702

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CCN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=C(C1=O)C(=O)N)O
InChI
InChI=1S/C17H15N3O3/c1-2-20-13-9-11(10-5-7-19-8-6-10)3-4-12(13)15(21)14(16(18)22)17(20)23/h3-9,21H,2H2,1H3,(H2,18,22)
InChIKey
LEZSOSHNPQERMQ-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

309.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 172.0
[M+Na]+ 332.10055 181.8
[M-H]- 308.10405 176.1
[M+NH4]+ 327.14515 184.0
[M+K]+ 348.07449 176.2
[M+H-H2O]+ 292.10859 162.7
[M+HCOO]- 354.10953 191.1
[M+CH3COO]- 368.12518 207.9
[M+Na-2H]- 330.08600 175.9
[M]+ 309.11078 172.5
[M]- 309.11188 172.5
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

patents stripe