CID 84782

15082-28-7

Structural Information

Molecular Formula
C24H22N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKey
XZCJVWCMJYNSQO-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

34997
Patents

354.17322 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18050 188.1
[M+Na]+ 377.16244 196.2
[M-H]- 353.16594 199.1
[M+NH4]+ 372.20704 198.1
[M+K]+ 393.13638 190.6
[M+H-H2O]+ 337.17048 177.2
[M+HCOO]- 399.17142 207.2
[M+CH3COO]- 413.18707 198.6
[M+Na-2H]- 375.14789 191.4
[M]+ 354.17267 189.4
[M]- 354.17377 189.4
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