CID 162664113

Chembl4781325

Structural Information

Molecular Formula
C14H10N4O6S2
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6S2/c1-8(19)9-2-4-10(5-3-9)26(22,23)17-14-16-15-13(25-14)11-6-7-12(24-11)18(20)21/h2-7H,1H3,(H,16,17)
InChIKey
LVEOOXUWLHGKNQ-UHFFFAOYSA-N
Compound name
4-acetyl-N-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.00418 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01146 186.8
[M+Na]+ 416.99340 194.9
[M-H]- 392.99690 196.6
[M+NH4]+ 412.03800 196.6
[M+K]+ 432.96734 187.3
[M+H-H2O]+ 377.00144 184.1
[M+HCOO]- 439.00238 202.3
[M+CH3COO]- 453.01803 207.9
[M+Na-2H]- 414.97885 191.8
[M]+ 394.00363 190.7
[M]- 394.00473 190.7
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.