CID 86930

17064-47-0

Structural Information

Molecular Formula
C25H17NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H17NO/c1-3-7-18(8-4-1)20-11-13-21(14-12-20)25-26-23-16-15-22(17-24(23)27-25)19-9-5-2-6-10-19/h1-17H
InChIKey
WISWLZYHZLVSMO-UHFFFAOYSA-N
Compound name
6-phenyl-2-(4-phenylphenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

587
Patents

347.131 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13828 184.1
[M+Na]+ 370.12022 205.3
[M+NH4]+ 365.16482 194.7
[M+K]+ 386.09416 195.1
[M-H]- 346.12372 196.0
[M+Na-2H]- 368.10567 198.8
[M]+ 347.13045 191.2
[M]- 347.13155 191.2
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