CID 320984

Nsc270146

Structural Information

Molecular Formula
C13H12N2O5S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2
InChI
InChI=1S/C13H12N2O5S/c1-9(16)15-21(18,19)11-6-4-10(5-7-11)14-13(17)12-3-2-8-20-12/h2-8H,1H3,(H,14,17)(H,15,16)
InChIKey
RQCMIQGHSGXOJP-UHFFFAOYSA-N
Compound name
N-[4-(acetylsulfamoyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

308.0467 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05398 168.0
[M+Na]+ 331.03592 174.7
[M-H]- 307.03942 176.0
[M+NH4]+ 326.08052 182.6
[M+K]+ 347.00986 173.1
[M+H-H2O]+ 291.04396 161.2
[M+HCOO]- 353.04490 187.7
[M+CH3COO]- 367.06055 202.1
[M+Na-2H]- 329.02137 171.6
[M]+ 308.04615 171.6
[M]- 308.04725 171.6
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

No patent data available for this compound.