CID 53216531

2096339-92-1

Structural Information

Molecular Formula
C19H18BNO4
SMILES
B(C1=C(N=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
InChI
InChI=1S/C19H18BNO4/c22-20(23)17-11-12-18(24-13-15-7-3-1-4-8-15)21-19(17)25-14-16-9-5-2-6-10-16/h1-12,22-23H,13-14H2
InChIKey
KWEZFPLDOCKBPB-UHFFFAOYSA-N
Compound name
[2,6-bis(phenylmethoxy)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

335.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14015 176.9
[M+Na]+ 358.12209 182.2
[M-H]- 334.12559 182.3
[M+NH4]+ 353.16669 186.8
[M+K]+ 374.09603 177.6
[M+H-H2O]+ 318.13013 166.7
[M+HCOO]- 380.13107 195.9
[M+CH3COO]- 394.14672 204.5
[M+Na-2H]- 356.10754 181.0
[M]+ 335.13232 177.7
[M]- 335.13342 177.7
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

patents stripe