CID 16463044

5-(diethylsulfamoyl)-2-methoxybenzoic acid

Structural Information

Molecular Formula

C₁₂H₁₇NO₅S

SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C12H17NO5S/c1-4-13(5-2)19(16,17)9-6-7-11(18-3)10(8-9)12(14)15/h6-8H,4-5H2,1-3H3,(H,14,15)

InChIKey

DZNSPBSLLYUPOK-UHFFFAOYSA-N

Compound name

5-(diethylsulfamoyl)-2-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 287.08273 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.090006	161.3
[M+Na]+	310.071948	168.1
[M-H]-	286.075454	165.1
[M+NH4]+	305.116553	177.0
[M+K]+	326.045888	166.7
[M+H-H2O]+	270.079990	154.7
[M+HCOO]-	332.080931	178.4
[M+CH3COO]-	346.096581	201.3
[M+Na-2H]-	308.057396	162.9
[M]+	287.08218142	167.6
[M]-	287.08327858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe