CID 16214828

C62

Structural Information

Molecular Formula
C14H12N2O5S2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CC3C(=O)NC(=O)S3)S(=O)(=O)N
InChI
InChI=1S/C14H12N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-6,12H,7H2,(H2,15,19,20)(H,16,17,18)
InChIKey
WQOCDMSLBVEJRI-UHFFFAOYSA-N
Compound name
4-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]furan-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.01877 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02605 179.3
[M+Na]+ 375.00799 188.7
[M-H]- 351.01149 187.7
[M+NH4]+ 370.05259 192.9
[M+K]+ 390.98193 183.9
[M+H-H2O]+ 335.01603 174.5
[M+HCOO]- 397.01697 190.8
[M+CH3COO]- 411.03262 204.4
[M+Na-2H]- 372.99344 177.7
[M]+ 352.01822 181.3
[M]- 352.01932 181.3
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.