CID 3699639

1,4-bis(4-phenyloxazol-2-yl)benzene

Structural Information

Molecular Formula
C24H16N2O2
SMILES
C1=CC=C(C=C1)C2=COC(=N2)C3=CC=C(C=C3)C4=NC(=CO4)C5=CC=CC=C5
InChI
InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-27-23(25-21)19-11-13-20(14-12-19)24-26-22(16-28-24)18-9-5-2-6-10-18/h1-16H
InChIKey
PXVAVQOLTXAZRC-UHFFFAOYSA-N
Compound name
4-phenyl-2-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

364.1212 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12848 184.0
[M+Na]+ 387.11042 193.8
[M-H]- 363.11392 199.5
[M+NH4]+ 382.15502 193.5
[M+K]+ 403.08436 189.3
[M+H-H2O]+ 347.11846 173.8
[M+HCOO]- 409.11940 207.1
[M+CH3COO]- 423.13505 195.9
[M+Na-2H]- 385.09587 186.5
[M]+ 364.12065 187.5
[M]- 364.12175 187.5
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