CID 779298

(2e)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C14H13NO5S
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O
InChI
InChI=1S/C14H13NO5S/c16-14(17)8-5-11-3-6-13(7-4-11)21(18,19)15-10-12-2-1-9-20-12/h1-9,15H,10H2,(H,16,17)/b8-5+
InChIKey
VIBKQPVIIPWFQU-VMPITWQZSA-N
Compound name
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

307.05145 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.058726 168.4
[M+Na]+ 330.040668 175.5
[M-H]- 306.044174 174.8
[M+NH4]+ 325.085273 182.8
[M+K]+ 346.014608 172.3
[M+H-H2O]+ 290.048710 162.0
[M+HCOO]- 352.049651 186.4
[M+CH3COO]- 366.065301 197.2
[M+Na-2H]- 328.026116 171.5
[M]+ 307.05090142 172.0
[M]- 307.05199858 172.0
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.