CID 510315

Schembl7481133

Structural Information

Molecular Formula
C19H14N4O4S2
SMILES
C1=CC=C(C=C1)SCCNC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O
InChI
InChI=1S/C19H14N4O4S2/c24-15(11-6-7-13-14(10-11)17(26)27-16(13)25)21-19-23-22-18(29-19)20-8-9-28-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,20,22)(H,21,23,24)
InChIKey
PWTXDPSPSWXPEU-UHFFFAOYSA-N
Compound name
1,3-dioxo-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

426.04565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.05293 194.7
[M+Na]+ 449.03487 203.6
[M-H]- 425.03837 204.3
[M+NH4]+ 444.07947 205.7
[M+K]+ 465.00881 198.6
[M+H-H2O]+ 409.04291 188.3
[M+HCOO]- 471.04385 208.1
[M+CH3COO]- 485.05950 204.5
[M+Na-2H]- 447.02032 194.9
[M]+ 426.04510 200.7
[M]- 426.04620 200.7
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

patents stripe