CID 54679386

Brn 4319535

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

246.10045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.4
[M+Na]+ 269.08967 161.4
[M-H]- 245.09317 154.5
[M+NH4]+ 264.13427 169.1
[M+K]+ 285.06361 157.5
[M+H-H2O]+ 229.09771 146.8
[M+HCOO]- 291.09865 172.2
[M+CH3COO]- 305.11430 192.9
[M+Na-2H]- 267.07512 157.8
[M]+ 246.09990 152.4
[M]- 246.10100 152.4
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

patents stripe