CID 66668639

4-(1h-imidazol-2-ylsulfanyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=CN=C(N1)SC2=CNN=C2
InChI
InChI=1S/C6H6N4S/c1-2-8-6(7-1)11-5-3-9-10-4-5/h1-4H,(H,7,8)(H,9,10)
InChIKey
MQODEJMMYXIGAK-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-4-ylsulfanyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

166.03131 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 130.9
[M+Na]+ 189.02053 142.8
[M+NH4]+ 184.06513 138.5
[M+K]+ 204.99447 139.0
[M-H]- 165.02403 131.4
[M+Na-2H]- 187.00598 137.7
[M]+ 166.03076 132.9
[M]- 166.03186 132.9
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