CID 54680433

Nsc675811

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCCl)O
InChI
InChI=1S/C13H13ClN2O3/c14-6-3-7-15-12(18)10-11(17)8-4-1-2-5-9(8)16-13(10)19/h1-2,4-5H,3,6-7H2,(H,15,18)(H2,16,17,19)
InChIKey
CWNVCCZYWYALHV-UHFFFAOYSA-N
Compound name
N-(3-chloropropyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06146 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 158.6
[M+Na]+ 303.05068 167.7
[M-H]- 279.05418 159.4
[M+NH4]+ 298.09528 173.9
[M+K]+ 319.02462 161.5
[M+H-H2O]+ 263.05872 152.7
[M+HCOO]- 325.05966 173.9
[M+CH3COO]- 339.07531 195.7
[M+Na-2H]- 301.03613 163.8
[M]+ 280.06091 160.4
[M]- 280.06201 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.