CID 70929723

1375302-99-0

Structural Information

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

13
Patents

311.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17656 170.0
[M+Na]+ 334.15850 178.7
[M-H]- 310.16200 180.3
[M+NH4]+ 329.20310 186.5
[M+K]+ 350.13244 177.9
[M+H-H2O]+ 294.16654 162.2
[M+HCOO]- 356.16748 189.7
[M+CH3COO]- 370.18313 182.5
[M+Na-2H]- 332.14395 175.0
[M]+ 311.16873 174.1
[M]- 311.16983 174.1
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

patents stripe