CID 11109114

2-[(2-amino-5-chloro-phenyl)sulfonyl-ethyl-amino]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.02844 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03572 159.5
[M+Na]+ 315.01766 167.1
[M-H]- 291.02116 163.2
[M+NH4]+ 310.06226 175.4
[M+K]+ 330.99160 163.4
[M+H-H2O]+ 275.02570 154.3
[M+HCOO]- 337.02664 173.0
[M+CH3COO]- 351.04229 201.5
[M+Na-2H]- 313.00311 161.1
[M]+ 292.02789 163.9
[M]- 292.02899 163.9
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.