CID 701015

4-phenyl-2-(pyridin-3-yl)thiazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

12
References

24
Patents

238.05647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06375 150.4
[M+Na]+ 261.04569 166.9
[M+NH4]+ 256.09029 160.7
[M+K]+ 277.01963 157.6
[M-H]- 237.04919 157.0
[M+Na-2H]- 259.03114 162.4
[M]+ 238.05592 155.3
[M]- 238.05702 155.3
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