CID 66524081

2096330-21-9

Structural Information

Molecular Formula
C16H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC3=NN=C(O3)C
InChI
InChI=1S/C16H21BN2O3/c1-11-18-19-14(20-11)10-12-7-6-8-13(9-12)17-21-15(2,3)16(4,5)22-17/h6-9H,10H2,1-5H3
InChIKey
QZCLCRHLRVJZKV-UHFFFAOYSA-N
Compound name
2-methyl-5-[[3-(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

300.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17180 163.8
[M+Na]+ 323.15374 174.2
[M-H]- 299.15724 174.0
[M+NH4]+ 318.19834 180.3
[M+K]+ 339.12768 174.7
[M+H-H2O]+ 283.16178 157.7
[M+HCOO]- 345.16272 182.6
[M+CH3COO]- 359.17837 177.2
[M+Na-2H]- 321.13919 167.1
[M]+ 300.16397 169.6
[M]- 300.16507 169.6
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.