CID 478681

Chembl41323

Structural Information

Molecular Formula
C17H15N3O3
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)N(C=C(C2=O)C(=O)N)CCO
InChI
InChI=1S/C17H15N3O3/c18-17(23)14-10-20(7-8-21)15-9-12(1-2-13(15)16(14)22)11-3-5-19-6-4-11/h1-6,9-10,21H,7-8H2,(H2,18,23)
InChIKey
PFECEEGHCOAGNU-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.11133 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 171.3
[M+Na]+ 332.10055 180.2
[M-H]- 308.10405 175.0
[M+NH4]+ 327.14515 183.0
[M+K]+ 348.07449 174.5
[M+H-H2O]+ 292.10859 161.8
[M+HCOO]- 354.10953 190.4
[M+CH3COO]- 368.12518 206.6
[M+Na-2H]- 330.08600 176.0
[M]+ 309.11078 171.4
[M]- 309.11188 171.4
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.