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]+ 315.10091 169.3
[M+Na]+ 337.08285 173.8
[M-H]- 313.08635 172.4
[M+NH4]+ 332.12745 183.0
[M+K]+ 353.05679 172.1
[M+H-H2O]+ 297.09089 162.0
[M+HCOO]- 359.09183 186.2
[M+CH3COO]- 373.10748 207.7
[M+Na-2H]- 335.06830 170.6
[M]+ 314.09308 173.3
[M]- 314.09418 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.