CID 3062249

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(4-fluorophenyl)-

Structural Information

Molecular Formula
C23H18FNO2S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H18FNO2S/c1-26-19-11-5-15(6-12-19)21-22(16-7-13-20(27-2)14-8-16)28-23(25-21)17-3-9-18(24)10-4-17/h3-14H,1-2H3
InChIKey
IOEZKMHVXDPVNW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4,5-bis(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

391.10422 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11150 192.5
[M+Na]+ 414.09344 202.8
[M-H]- 390.09694 203.8
[M+NH4]+ 409.13804 204.9
[M+K]+ 430.06738 195.7
[M+H-H2O]+ 374.10148 182.0
[M+HCOO]- 436.10242 210.5
[M+CH3COO]- 450.11807 203.5
[M+Na-2H]- 412.07889 190.8
[M]+ 391.10367 196.8
[M]- 391.10477 196.8
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