CID 351610

4447-45-4

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=COC(=C1)C2=NN=C(S2)N
InChI
InChI=1S/C6H5N3OS/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKey
NJIPARYFCVPPCA-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

29
Patents

167.01534 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 129.9
[M+Na]+ 190.00456 142.1
[M+NH4]+ 185.04916 138.6
[M+K]+ 205.97850 138.8
[M-H]- 166.00806 134.1
[M+Na-2H]- 187.99001 136.9
[M]+ 167.01479 133.2
[M]- 167.01589 133.2
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

patents stripe