CID 28742925

5-(1-methyl-1h-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H7N5S
SMILES
CN1C=C(C=N1)C2=NN=C(S2)N
InChI
InChI=1S/C6H7N5S/c1-11-3-4(2-8-11)5-9-10-6(7)12-5/h2-3H,1H3,(H2,7,10)
InChIKey
WJFATENNQBSBGK-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

181.04222 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04950 134.5
[M+Na]+ 204.03144 146.7
[M+NH4]+ 199.07604 142.2
[M+K]+ 220.00538 143.4
[M-H]- 180.03494 136.3
[M+Na-2H]- 202.01689 141.4
[M]+ 181.04167 137.0
[M]- 181.04277 137.0
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