CID 17750217

832735-54-3

Structural Information

Molecular Formula
C18H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(20-12-15)21-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChIKey
MXNLRVZITPPZHT-UHFFFAOYSA-N
Compound name
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

311.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17656 169.9
[M+Na]+ 334.15850 184.5
[M+NH4]+ 329.20310 180.7
[M+K]+ 350.13244 175.9
[M-H]- 310.16200 177.9
[M+Na-2H]- 332.14395 180.6
[M]+ 311.16873 174.8
[M]- 311.16983 174.8
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

patents stripe