CID 2082583

764696-97-1

Structural Information

Molecular Formula
C17H19NO7S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC
InChI
InChI=1S/C17H19NO7S/c1-4-25-11-5-7-12(8-6-11)26(21,22)18-14-10-16(24-3)15(23-2)9-13(14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKey
LQXXAYVTSBKCEQ-UHFFFAOYSA-N
Compound name
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

381.08823 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09551 185.3
[M+Na]+ 404.07745 195.4
[M+NH4]+ 399.12205 189.5
[M+K]+ 420.05139 190.1
[M-H]- 380.08095 186.2
[M+Na-2H]- 402.06290 190.1
[M]+ 381.08768 187.2
[M]- 381.08878 187.2
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

No patent data available for this compound.