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

5
Patents

287.08273 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09001 161.3
[M+Na]+ 310.07195 168.1
[M-H]- 286.07545 165.1
[M+NH4]+ 305.11655 177.0
[M+K]+ 326.04589 166.7
[M+H-H2O]+ 270.07999 154.7
[M+HCOO]- 332.08093 178.4
[M+CH3COO]- 346.09658 201.3
[M+Na-2H]- 308.05740 162.9
[M]+ 287.08218 167.6
[M]- 287.08328 167.6
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

patents stripe