CID 509317

Schembl7484637

Structural Information

Molecular Formula
C16H10N4O4S2
SMILES
C1=CSC(=C1)CNC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O
InChI
InChI=1S/C16H10N4O4S2/c21-12(8-3-4-10-11(6-8)14(23)24-13(10)22)18-16-20-19-15(26-16)17-7-9-2-1-5-25-9/h1-6H,7H2,(H,17,19)(H,18,20,21)
InChIKey
BNLITDHXVXOJRW-UHFFFAOYSA-N
Compound name
1,3-dioxo-N-[5-(thiophen-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.01434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.02162 185.1
[M+Na]+ 409.00356 196.5
[M-H]- 385.00706 196.5
[M+NH4]+ 404.04816 200.0
[M+K]+ 424.97750 192.9
[M+H-H2O]+ 369.01160 180.6
[M+HCOO]- 431.01254 201.9
[M+CH3COO]- 445.02819 197.0
[M+Na-2H]- 406.98901 184.6
[M]+ 386.01379 192.8
[M]- 386.01489 192.8
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