CID 11056758

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

Structural Information

Molecular Formula
C13H19ClN2O4S
SMILES
CCN(C(C)C(=O)OCC)S(=O)(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C13H19ClN2O4S/c1-4-16(9(3)13(17)20-5-2)21(18,19)12-8-10(14)6-7-11(12)15/h6-9H,4-5,15H2,1-3H3
InChIKey
YWCCGGPPHNVVDA-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.0754 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08268 172.6
[M+Na]+ 357.06462 179.1
[M-H]- 333.06812 177.3
[M+NH4]+ 352.10922 187.5
[M+K]+ 373.03856 176.2
[M+H-H2O]+ 317.07266 166.7
[M+HCOO]- 379.07360 185.6
[M+CH3COO]- 393.08925 213.0
[M+Na-2H]- 355.05007 172.2
[M]+ 334.07485 179.4
[M]- 334.07595 179.4
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.