CID 10860197

Ethyl 2-[(2-amino-5-chloro-phenyl)sulfonyl-ethyl-amino]acetate

Structural Information

Molecular Formula
C12H17ClN2O4S
SMILES
CCN(CC(=O)OCC)S(=O)(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C12H17ClN2O4S/c1-3-15(8-12(16)19-4-2)20(17,18)11-7-9(13)5-6-10(11)14/h5-7H,3-4,8,14H2,1-2H3
InChIKey
JVLGEENUKNDXDY-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.05975 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06703 168.8
[M+Na]+ 343.04897 176.0
[M-H]- 319.05247 173.5
[M+NH4]+ 338.09357 184.3
[M+K]+ 359.02291 172.7
[M+H-H2O]+ 303.05701 162.9
[M+HCOO]- 365.05795 183.1
[M+CH3COO]- 379.07360 209.1
[M+Na-2H]- 341.03442 169.8
[M]+ 320.05920 175.7
[M]- 320.06030 175.7
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

No patent data available for this compound.