CID 46739070

4-(4-methoxyphenyl)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C20H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)16-8-6-15(7-9-16)14-22-17-10-12-18(23-5)13-11-17/h6-14H,1-5H3
InChIKey
FEZZNCDZVGVBHZ-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19222 177.6
[M+Na]+ 360.17416 186.3
[M-H]- 336.17766 190.6
[M+NH4]+ 355.21876 195.1
[M+K]+ 376.14810 185.4
[M+H-H2O]+ 320.18220 170.3
[M+HCOO]- 382.18314 200.6
[M+CH3COO]- 396.19879 214.9
[M+Na-2H]- 358.15961 182.1
[M]+ 337.18439 182.7
[M]- 337.18549 182.7
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

No patent data available for this compound.