CID 335653

Nsc346209

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₃

SMILES

CCOC(=O)CNCC1=CC(=O)NC2=C1C=CC(=C2)Cl

InChI

InChI=1S/C14H15ClN2O3/c1-2-20-14(19)8-16-7-9-5-13(18)17-12-6-10(15)3-4-11(9)12/h3-6,16H,2,7-8H2,1H3,(H,17,18)

InChIKey

ZSARMKVSEXKLES-UHFFFAOYSA-N

Compound name

ethyl 2-[(7-chloro-2-oxo-1H-quinolin-4-yl)methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.07712 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.084396	163.1
[M+Na]+	317.066338	172.1
[M-H]-	293.069844	165.0
[M+NH4]+	312.110943	178.5
[M+K]+	333.040278	166.5
[M+H-H2O]+	277.074380	156.5
[M+HCOO]-	339.075321	179.5
[M+CH3COO]-	353.090971	201.0
[M+Na-2H]-	315.051786	168.2
[M]+	294.07657142	167.0
[M]-	294.07766858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe