CID 14604

4-[(diethylamino)sulfonyl]benzoic acid

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
UACOQEQOBAQRDQ-UHFFFAOYSA-N
Compound name
4-(diethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

332
Patents

257.07217 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 154.6
[M+Na]+ 280.061388 161.3
[M-H]- 256.064894 158.4
[M+NH4]+ 275.105993 171.5
[M+K]+ 296.035328 159.5
[M+H-H2O]+ 240.069430 148.3
[M+HCOO]- 302.070371 171.9
[M+CH3COO]- 316.086021 194.9
[M+Na-2H]- 278.046836 157.1
[M]+ 257.07162142 158.9
[M]- 257.07271858 158.9
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

patents stripe