CID 54595111

2-(n-ethyl2-chloropyridine-3-sulfonamido)acetic acid

Structural Information

Molecular Formula
C9H11ClN2O4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H11ClN2O4S/c1-2-12(6-8(13)14)17(15,16)7-4-3-5-11-9(7)10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKey
ULRUIZHNSQDQSO-UHFFFAOYSA-N
Compound name
2-[(2-chloropyridin-3-yl)sulfonyl-ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.02010 157.4
[M+Na]+ 301.00204 167.4
[M+NH4]+ 296.04664 163.1
[M+K]+ 316.97598 162.0
[M-H]- 277.00554 156.5
[M+Na-2H]- 298.98749 161.5
[M]+ 278.01227 159.0
[M]- 278.01337 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.