CID 16454031

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

Structural Information

Molecular Formula
C6H5N3S2
SMILES
C1=CSC(=C1)C2=NSC(=N2)N
InChI
InChI=1S/C6H5N3S2/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H,(H2,7,8,9)
InChIKey
CEDMVAQWYXHFOL-UHFFFAOYSA-N
Compound name
3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.9925 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99978 131.6
[M+Na]+ 205.98172 144.7
[M-H]- 181.98522 137.4
[M+NH4]+ 201.02632 153.5
[M+K]+ 221.95566 140.7
[M+H-H2O]+ 165.98976 125.9
[M+HCOO]- 227.99070 149.2
[M+CH3COO]- 242.00635 146.5
[M+Na-2H]- 203.96717 132.7
[M]+ 182.99195 134.5
[M]- 182.99305 134.5
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