CID 95231

2,5-bis(4-biphenylyl)oxazole

Structural Information

Molecular Formula
C27H19NO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H
InChIKey
DDZJGFHXUOWOSL-UHFFFAOYSA-N
Compound name
2,5-bis(4-phenylphenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1640
Patents

373.14667 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15395 191.8
[M+Na]+ 396.13589 199.4
[M-H]- 372.13939 206.6
[M+NH4]+ 391.18049 201.4
[M+K]+ 412.10983 192.4
[M+H-H2O]+ 356.14393 180.1
[M+HCOO]- 418.14487 213.7
[M+CH3COO]- 432.16052 202.2
[M+Na-2H]- 394.12134 194.6
[M]+ 373.14612 191.2
[M]- 373.14722 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