CID 2404821

(4-diethylsulfamoyl-benzoylamino)-acetic acid

Structural Information

Molecular Formula
C13H18N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)11-7-5-10(6-8-11)13(18)14-9-12(16)17/h5-8H,3-4,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKey
XNAAZUFOJHYJSL-UHFFFAOYSA-N
Compound name
2-[[4-(diethylsulfamoyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09363 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.100906 169.3
[M+Na]+ 337.082848 173.8
[M-H]- 313.086354 172.4
[M+NH4]+ 332.127453 183.0
[M+K]+ 353.056788 172.1
[M+H-H2O]+ 297.090890 162.0
[M+HCOO]- 359.091831 186.2
[M+CH3COO]- 373.107481 207.7
[M+Na-2H]- 335.068296 170.6
[M]+ 314.09308142 173.3
[M]- 314.09417858 173.3
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.