CID 2763788

Phenyl-5-(1h-pyrazol-3-yl)-1,3-thiazole

Structural Information

Molecular Formula
C12H9N3S
SMILES
C1=CC=C(C=C1)C2=NC=C(S2)C3=CC=NN3
InChI
InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)
InChIKey
NRAHRUHGPGBWSI-UHFFFAOYSA-N
Compound name
2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

21
Patents

227.05171 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05899 146.1
[M+Na]+ 250.04093 157.9
[M-H]- 226.04443 152.6
[M+NH4]+ 245.08553 164.0
[M+K]+ 266.01487 152.4
[M+H-H2O]+ 210.04897 138.4
[M+HCOO]- 272.04991 165.7
[M+CH3COO]- 286.06556 159.7
[M+Na-2H]- 248.02638 148.5
[M]+ 227.05116 148.0
[M]- 227.05226 148.0
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