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

40
Patents

151.02042 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02770 127.0
[M+Na]+ 174.00964 139.8
[M+NH4]+ 169.05424 135.9
[M+K]+ 189.98358 135.3
[M-H]- 150.01314 129.0
[M+Na-2H]- 171.99509 134.9
[M]+ 151.01987 129.7
[M]- 151.02097 129.7
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

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