CID 1728453

1243308-37-3

Structural Information

Molecular Formula
C9H9ClN2O3
SMILES
CCOC(=O)C(=O)NC1=NC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClN2O3/c1-2-15-9(14)8(13)12-7-4-3-6(10)5-11-7/h3-5H,2H2,1H3,(H,11,12,13)
InChIKey
LSQWUGYWDZRKNW-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-chloropyridin-2-yl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

228.03017 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03745 145.2
[M+Na]+ 251.01939 153.6
[M-H]- 227.02289 147.8
[M+NH4]+ 246.06399 162.6
[M+K]+ 266.99333 151.0
[M+H-H2O]+ 211.02743 139.1
[M+HCOO]- 273.02837 164.2
[M+CH3COO]- 287.04402 187.8
[M+Na-2H]- 249.00484 150.3
[M]+ 228.02962 148.7
[M]- 228.03072 148.7
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