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

8
Patents

181.04222 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.049496 133.5
[M+Na]+ 204.031438 146.6
[M-H]- 180.034944 136.9
[M+NH4]+ 199.076043 152.5
[M+K]+ 220.005378 143.5
[M+H-H2O]+ 164.039480 125.8
[M+HCOO]- 226.040421 153.9
[M+CH3COO]- 240.056071 147.9
[M+Na-2H]- 202.016886 135.7
[M]+ 181.04167142 136.5
[M]- 181.04276858 136.5
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