CID 96840

2,5-bis(4-biphenylyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C26H18N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKey
IVVYVRLKDGGUEL-UHFFFAOYSA-N
Compound name
2,5-bis(4-phenylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

374.1419 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14918 191.4
[M+Na]+ 397.13112 199.3
[M-H]- 373.13462 204.9
[M+NH4]+ 392.17572 199.5
[M+K]+ 413.10506 192.2
[M+H-H2O]+ 357.13916 178.8
[M+HCOO]- 419.14010 212.1
[M+CH3COO]- 433.15575 201.4
[M+Na-2H]- 395.11657 194.7
[M]+ 374.14135 190.9
[M]- 374.14245 190.9
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