CID 20555356

2-(1h-pyrazol-4-yl)-1,3-thiazole

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CSC(=N1)C2=CNN=C2
InChI
InChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9)
InChIKey
QYETZDWVJUWUTQ-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

151.02042 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.027696 125.7
[M+Na]+ 174.009638 137.7
[M-H]- 150.013144 128.9
[M+NH4]+ 169.054243 146.7
[M+K]+ 189.983578 134.6
[M+H-H2O]+ 134.017680 118.9
[M+HCOO]- 196.018621 145.7
[M+CH3COO]- 210.034271 140.4
[M+Na-2H]- 171.995086 129.5
[M]+ 151.01987142 127.5
[M]- 151.02096858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe