CID 66524078

2-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1,3,4-oxadiazole

Structural Information

Molecular Formula
C15H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC3=NN=CO3
InChI
InChI=1S/C15H19BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-5-11(6-8-12)9-13-18-17-10-19-13/h5-8,10H,9H2,1-4H3
InChIKey
QZSGKUCCKDDVKT-UHFFFAOYSA-N
Compound name
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15614 159.7
[M+Na]+ 309.13808 169.7
[M-H]- 285.14158 169.7
[M+NH4]+ 304.18268 176.5
[M+K]+ 325.11202 170.4
[M+H-H2O]+ 269.14612 153.4
[M+HCOO]- 331.14706 178.9
[M+CH3COO]- 345.16271 173.2
[M+Na-2H]- 307.12353 164.1
[M]+ 286.14831 164.8
[M]- 286.14941 164.8
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.