CID 3024899

Pyridine, 3-(4-(4-methoxyphenyl)-2-phenyl-5-thiazolyl)-

Structural Information

Molecular Formula
C21H16N2OS
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)C4=CN=CC=C4
InChI
InChI=1S/C21H16N2OS/c1-24-18-11-9-15(10-12-18)19-20(17-8-5-13-22-14-17)25-21(23-19)16-6-3-2-4-7-16/h2-14H,1H3
InChIKey
USDPJLQQSGAMIJ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2-phenyl-5-pyridin-3-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

344.09833 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10561 180.7
[M+Na]+ 367.08755 190.5
[M-H]- 343.09105 191.7
[M+NH4]+ 362.13215 193.3
[M+K]+ 383.06149 183.3
[M+H-H2O]+ 327.09559 170.6
[M+HCOO]- 389.09653 199.0
[M+CH3COO]- 403.11218 192.0
[M+Na-2H]- 365.07300 181.9
[M]+ 344.09778 183.5
[M]- 344.09888 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe