CID 738483

4-phenyl-2-(4-pyridyl)thiazole

Structural Information

Molecular Formula
C14H10N2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)C3=CC=NC=C3
InChI
InChI=1S/C14H10N2S/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12/h1-10H
InChIKey
KDWADCDCAPDAQP-UHFFFAOYSA-N
Compound name
4-phenyl-2-pyridin-4-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

238.05647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.063746 150.3
[M+Na]+ 261.045688 160.5
[M-H]- 237.049194 158.3
[M+NH4]+ 256.090293 167.6
[M+K]+ 277.019628 155.0
[M+H-H2O]+ 221.053730 142.0
[M+HCOO]- 283.054671 169.7
[M+CH3COO]- 297.070321 163.5
[M+Na-2H]- 259.031136 154.2
[M]+ 238.05592142 151.5
[M]- 238.05701858 151.5
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