CID 3011947

5-(benzenesulfinyl)-n-(3-hydroxyphenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C17H13NO4S
SMILES
C1=CC=C(C=C1)S(=O)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)O
InChI
InChI=1S/C17H13NO4S/c19-13-6-4-5-12(11-13)18-17(20)15-9-10-16(22-15)23(21)14-7-2-1-3-8-14/h1-11,19H,(H,18,20)
InChIKey
FKRXMKAQIBMDBW-UHFFFAOYSA-N
Compound name
5-(benzenesulfinyl)-N-(3-hydroxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.05652 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06380 173.9
[M+Na]+ 350.04574 181.1
[M-H]- 326.04924 183.9
[M+NH4]+ 345.09034 187.4
[M+K]+ 366.01968 177.7
[M+H-H2O]+ 310.05378 166.6
[M+HCOO]- 372.05472 192.4
[M+CH3COO]- 386.07037 203.4
[M+Na-2H]- 348.03119 175.0
[M]+ 327.05597 176.5
[M]- 327.05707 176.5
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.