CID 64993125

3-(1,3-thiazol-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=CSC(=N1)C2=C(C=NN2)N
InChI
InChI=1S/C6H6N4S/c7-4-3-9-10-5(4)6-8-1-2-11-6/h1-3H,7H2,(H,9,10)
InChIKey
PYZVIAANOFKCGJ-UHFFFAOYSA-N
Compound name
5-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

166.03131 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 129.1
[M+Na]+ 189.02053 140.9
[M-H]- 165.02403 132.2
[M+NH4]+ 184.06513 149.2
[M+K]+ 204.99447 137.2
[M+H-H2O]+ 149.02857 122.1
[M+HCOO]- 211.02951 149.4
[M+CH3COO]- 225.04516 143.3
[M+Na-2H]- 187.00598 132.0
[M]+ 166.03076 129.5
[M]- 166.03186 129.5
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