CID 74789475

1116122-85-0

Structural Information

Molecular Formula
C26H32B2N2O5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C26H32B2N2O5/c1-23(2)24(3,4)33-27(32-23)19-13-9-17(10-14-19)21-29-30-22(31-21)18-11-15-20(16-12-18)28-34-25(5,6)26(7,8)35-28/h9-16H,1-8H3
InChIKey
LGFGAXPLFWYXOI-UHFFFAOYSA-N
Compound name
2,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.24973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.25701 191.7
[M+Na]+ 497.23895 205.5
[M+NH4]+ 492.28355 202.8
[M+K]+ 513.21289 200.4
[M-H]- 473.24245 204.5
[M+Na-2H]- 495.22440 202.4
[M]+ 474.24918 198.3
[M]- 474.25028 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.