CID 54677797

Brn 4320214

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C13H14N2O3/c1-2-7-14-12(17)10-11(16)8-5-3-4-6-9(8)15-13(10)18/h3-6H,2,7H2,1H3,(H,14,17)(H2,15,16,18)
InChIKey
MBDBECRYUXJQIQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-propyl-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.3
[M+Na]+ 269.08967 161.6
[M-H]- 245.09317 154.3
[M+NH4]+ 264.13427 169.0
[M+K]+ 285.06361 157.0
[M+H-H2O]+ 229.09771 146.4
[M+HCOO]- 291.09865 173.1
[M+CH3COO]- 305.11430 191.9
[M+Na-2H]- 267.07512 158.8
[M]+ 246.09990 152.9
[M]- 246.10100 152.9
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.