CID 63204568

Akos012507034

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

0
Patents

167.01534 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.