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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08440 163.1
[M+Na]+ 317.06634 172.1
[M-H]- 293.06984 165.0
[M+NH4]+ 312.11094 178.5
[M+K]+ 333.04028 166.5
[M+H-H2O]+ 277.07438 156.5
[M+HCOO]- 339.07532 179.5
[M+CH3COO]- 353.09097 201.0
[M+Na-2H]- 315.05179 168.2
[M]+ 294.07657 167.0
[M]- 294.07767 167.0
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

patents stripe