CID 15320492

1,3-bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl]benzene

Structural Information

Molecular Formula
C30H30N4O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C
InChI
InChI=1S/C30H30N4O2/c1-29(2,3)23-14-10-19(11-15-23)25-31-33-27(35-25)21-8-7-9-22(18-21)28-34-32-26(36-28)20-12-16-24(17-13-20)30(4,5)6/h7-18H,1-6H3
InChIKey
FQJQNLKWTRGIEB-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16178
Patents

478.23688 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.24416 220.0
[M+Na]+ 501.22610 229.2
[M-H]- 477.22960 233.6
[M+NH4]+ 496.27070 222.9
[M+K]+ 517.20004 224.3
[M+H-H2O]+ 461.23414 208.6
[M+HCOO]- 523.23508 234.9
[M+CH3COO]- 537.25073 228.7
[M+Na-2H]- 499.21155 219.8
[M]+ 478.23633 225.7
[M]- 478.23743 225.7
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