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

6
Patents

344.09833 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.105606 180.7
[M+Na]+ 367.087548 190.5
[M-H]- 343.091054 191.7
[M+NH4]+ 362.132153 193.3
[M+K]+ 383.061488 183.3
[M+H-H2O]+ 327.095590 170.6
[M+HCOO]- 389.096531 199.0
[M+CH3COO]- 403.112181 192.0
[M+Na-2H]- 365.072996 181.9
[M]+ 344.09778142 183.5
[M]- 344.09887858 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