CID 141645728

2152673-80-6

Structural Information

Molecular Formula
C25H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C25H28BNO4/c1-24(2)25(3,4)31-26(30-24)21-15-16-22(28-17-19-11-7-5-8-12-19)27-23(21)29-18-20-13-9-6-10-14-20/h5-16H,17-18H2,1-4H3
InChIKey
WPHHXAQXUQVEHH-UHFFFAOYSA-N
Compound name
2,6-bis(phenylmethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

417.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21843 198.7
[M+Na]+ 440.20037 214.6
[M+NH4]+ 435.24497 208.9
[M+K]+ 456.17431 204.6
[M-H]- 416.20387 208.8
[M+Na-2H]- 438.18582 210.7
[M]+ 417.21060 204.5
[M]- 417.21170 204.5
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