CID 351610

5-(furan-2-yl)-1,3,4-thiadiazol-2-amine

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

27
Patents

167.01534 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.022616 128.4
[M+Na]+ 190.004558 140.6
[M-H]- 166.008064 134.7
[M+NH4]+ 185.049163 149.1
[M+K]+ 205.978498 139.1
[M+H-H2O]+ 150.012600 122.2
[M+HCOO]- 212.013541 150.8
[M+CH3COO]- 226.029191 143.9
[M+Na-2H]- 187.990006 132.4
[M]+ 167.01479142 132.0
[M]- 167.01588858 132.0
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