CID 4252603

4,5-diphenyl-2-(2-methoxyphenyl)oxazole

Structural Information

Molecular Formula
C22H17NO2
SMILES
COC1=CC=CC=C1C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H17NO2/c1-24-19-15-9-8-14-18(19)22-23-20(16-10-4-2-5-11-16)21(25-22)17-12-6-3-7-13-17/h2-15H,1H3
InChIKey
IVYJDHSKZZIVBQ-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-4,5-diphenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12592 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13320 177.5
[M+Na]+ 350.11514 185.9
[M-H]- 326.11864 190.0
[M+NH4]+ 345.15974 189.8
[M+K]+ 366.08908 181.2
[M+H-H2O]+ 310.12318 167.3
[M+HCOO]- 372.12412 200.5
[M+CH3COO]- 386.13977 189.4
[M+Na-2H]- 348.10059 181.2
[M]+ 327.12537 179.6
[M]- 327.12647 179.6
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

No patent data available for this compound.