CID 80490584

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

Structural Information

Molecular Formula
C5H4N4S2
SMILES
C1=C(N=CS1)C2=NSC(=N2)N
InChI
InChI=1S/C5H4N4S2/c6-5-8-4(9-11-5)3-1-10-2-7-3/h1-2H,(H2,6,8,9)
InChIKey
UHJRVZHMNWULOU-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-4-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.98773 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99501 130.5
[M+Na]+ 206.97695 144.1
[M-H]- 182.98045 135.1
[M+NH4]+ 202.02155 151.1
[M+K]+ 222.95089 140.2
[M+H-H2O]+ 166.98499 124.4
[M+HCOO]- 228.98593 147.2
[M+CH3COO]- 243.00158 145.2
[M+Na-2H]- 204.96240 131.8
[M]+ 183.98718 133.5
[M]- 183.98828 133.5
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

No patent data available for this compound.