CID 3774070

2-[5-(diethylsulfamoyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CC(=O)O
InChI
InChI=1S/C11H16N2O5S/c1-3-13(4-2)19(17,18)9-5-6-10(14)12(7-9)8-11(15)16/h5-7H,3-4,8H2,1-2H3,(H,15,16)
InChIKey
PAGBNETUTYKLIL-UHFFFAOYSA-N
Compound name
2-[5-(diethylsulfamoyl)-2-oxopyridin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.078 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 160.4
[M+Na]+ 311.06722 167.9
[M-H]- 287.07072 163.0
[M+NH4]+ 306.11182 174.7
[M+K]+ 327.04116 165.9
[M+H-H2O]+ 271.07526 153.4
[M+HCOO]- 333.07620 176.8
[M+CH3COO]- 347.09185 200.3
[M+Na-2H]- 309.05267 162.6
[M]+ 288.07745 166.1
[M]- 288.07855 166.1
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.