CID 246529

Nsc59749

Structural Information

Molecular Formula
C7H5N3O2S
SMILES
C1=COC(=C1)C2=C(N=NS2)C(=O)N
InChI
InChI=1S/C7H5N3O2S/c8-7(11)5-6(13-10-9-5)4-2-1-3-12-4/h1-3H,(H2,8,11)
InChIKey
JVBJCTDZLAGDTF-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

195.01025 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01753 136.8
[M+Na]+ 217.99947 148.2
[M-H]- 194.00297 143.1
[M+NH4]+ 213.04407 156.1
[M+K]+ 233.97341 146.9
[M+H-H2O]+ 178.00751 130.3
[M+HCOO]- 240.00845 158.2
[M+CH3COO]- 254.02410 151.5
[M+Na-2H]- 215.98492 139.3
[M]+ 195.00970 140.7
[M]- 195.01080 140.7
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.