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]+ 167.038586 129.7
[M+Na]+ 189.020528 141.2
[M-H]- 165.024034 130.2
[M+NH4]+ 184.065133 148.0
[M+K]+ 204.994468 137.1
[M+H-H2O]+ 149.028570 122.3
[M+HCOO]- 211.029511 146.8
[M+CH3COO]- 225.045161 142.9
[M+Na-2H]- 187.005976 132.8
[M]+ 166.03076142 130.0
[M]- 166.03185858 130.0
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