CID 54684039

Brn 4315786

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C11H10N2O3/c1-12-10(15)8-9(14)6-4-2-3-5-7(6)13-11(8)16/h2-5H,1H3,(H,12,15)(H2,13,14,16)
InChIKey
QATJOQLILULHDL-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

218.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.1
[M+Na]+ 241.05836 153.3
[M-H]- 217.06186 145.5
[M+NH4]+ 236.10296 161.0
[M+K]+ 257.03230 149.2
[M+H-H2O]+ 201.06640 137.7
[M+HCOO]- 263.06734 164.6
[M+CH3COO]- 277.08299 185.9
[M+Na-2H]- 239.04381 150.7
[M]+ 218.06859 143.0
[M]- 218.06969 143.0
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