CID 307386

Nsc205491

Structural Information

Molecular Formula
C17H18N2O5S
SMILES
CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-4-6-15(7-5-13)19-25(22,23)16-10-8-14(9-11-16)18-12(2)20/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKey
IIBCOYGTPYCACM-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

362.09363 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10091 181.9
[M+Na]+ 385.08285 187.2
[M-H]- 361.08635 188.4
[M+NH4]+ 380.12745 193.6
[M+K]+ 401.05679 183.8
[M+H-H2O]+ 345.09089 173.4
[M+HCOO]- 407.09183 200.0
[M+CH3COO]- 421.10748 215.3
[M+Na-2H]- 383.06830 184.5
[M]+ 362.09308 185.7
[M]- 362.09418 185.7
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.