CID 141645728

2,6-bis(benzyloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

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

370
Patents

417.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.21843 200.3
[M+Na]+ 440.20037 207.9
[M-H]- 416.20387 213.2
[M+NH4]+ 435.24497 211.8
[M+K]+ 456.17431 206.0
[M+H-H2O]+ 400.20841 189.8
[M+HCOO]- 462.20935 218.7
[M+CH3COO]- 476.22500 210.6
[M+Na-2H]- 438.18582 202.5
[M]+ 417.21060 205.6
[M]- 417.21170 205.6
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

patents stripe