CID 10881348

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

Structural Information

Molecular Formula
C11H15ClN2O4S
SMILES
CCN(C(C)C(=O)O)S(=O)(=O)C1=C(C=CC(=C1)Cl)N
InChI
InChI=1S/C11H15ClN2O4S/c1-3-14(7(2)11(15)16)19(17,18)10-6-8(12)4-5-9(10)13/h4-7H,3,13H2,1-2H3,(H,15,16)
InChIKey
DFNZDWAKTDELMU-UHFFFAOYSA-N
Compound name
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.0441 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05138 163.3
[M+Na]+ 329.03332 170.1
[M-H]- 305.03682 166.9
[M+NH4]+ 324.07792 178.6
[M+K]+ 345.00726 166.8
[M+H-H2O]+ 289.04136 158.1
[M+HCOO]- 351.04230 175.5
[M+CH3COO]- 365.05795 205.4
[M+Na-2H]- 327.01877 163.4
[M]+ 306.04355 167.6
[M]- 306.04465 167.6
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.