CID 16074452

Akos005796331

Structural Information

Molecular Formula
C10H13ClN2O4S
SMILES
CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C10H13ClN2O4S/c1-2-17-10(14)6-13-18(15,16)9-5-7(11)3-4-8(9)12/h3-5,13H,2,6,12H2,1H3
InChIKey
KGXXWBROSYSKAM-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-amino-5-chlorophenyl)sulfonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03572 160.2
[M+Na]+ 315.01766 168.1
[M-H]- 291.02116 163.8
[M+NH4]+ 310.06226 176.2
[M+K]+ 330.99160 163.8
[M+H-H2O]+ 275.02570 154.8
[M+HCOO]- 337.02664 174.7
[M+CH3COO]- 351.04229 199.9
[M+Na-2H]- 313.00311 162.7
[M]+ 292.02789 165.0
[M]- 292.02899 165.0
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.