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 196.1
[M+Na]+ 497.23895 207.1
[M-H]- 473.24245 214.1
[M+NH4]+ 492.28355 208.3
[M+K]+ 513.21289 209.4
[M+H-H2O]+ 457.24699 191.6
[M+HCOO]- 519.24793 210.3
[M+CH3COO]- 533.26358 208.1
[M+Na-2H]- 495.22440 194.9
[M]+ 474.24918 205.1
[M]- 474.25028 205.1
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.