CID 7063904

3-(thiophene-2-sulfonamido)naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C15H11NO4S2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NS(=O)(=O)C3=CC=CS3
InChI
InChI=1S/C15H11NO4S2/c17-15(18)12-8-10-4-1-2-5-11(10)9-13(12)16-22(19,20)14-6-3-7-21-14/h1-9,16H,(H,17,18)
InChIKey
IFDALHUCEBEPTN-UHFFFAOYSA-N
Compound name
3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.01294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02022 173.1
[M+Na]+ 356.00216 182.7
[M-H]- 332.00566 179.9
[M+NH4]+ 351.04676 189.3
[M+K]+ 371.97610 176.7
[M+H-H2O]+ 316.01020 167.6
[M+HCOO]- 378.01114 186.9
[M+CH3COO]- 392.02679 202.5
[M+Na-2H]- 353.98761 177.4
[M]+ 333.01239 177.8
[M]- 333.01349 177.8
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

No patent data available for this compound.