CID 63204568

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

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=COC=C1C2=NSC(=N2)N
InChI
InChI=1S/C6H5N3OS/c7-6-8-5(9-11-6)4-1-2-10-3-4/h1-3H,(H2,7,8,9)
InChIKey
LBNMXUXMGMGLIS-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.01534 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

patents stripe