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 183.8
[M+Na]+ 404.07745 190.5
[M-H]- 380.08095 189.4
[M+NH4]+ 399.12205 194.7
[M+K]+ 420.05139 187.9
[M+H-H2O]+ 364.08549 175.6
[M+HCOO]- 426.08643 200.5
[M+CH3COO]- 440.10208 216.1
[M+Na-2H]- 402.06290 185.7
[M]+ 381.08768 191.6
[M]- 381.08878 191.6
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.