CID 71306489

4-(benzyl)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C20H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NCC3=CC=CC=C3
InChI
InChI=1S/C20H24BNO2/c1-19(2)20(3,4)24-21(23-19)18-12-10-17(11-13-18)15-22-14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3
InChIKey
IOTMQCIVEHNGQC-UHFFFAOYSA-N
Compound name
N-benzyl-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

321.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19728 175.1
[M+Na]+ 344.17922 183.1
[M-H]- 320.18272 187.8
[M+NH4]+ 339.22382 193.1
[M+K]+ 360.15316 181.5
[M+H-H2O]+ 304.18726 167.6
[M+HCOO]- 366.18820 197.9
[M+CH3COO]- 380.20385 211.6
[M+Na-2H]- 342.16467 180.0
[M]+ 321.18945 178.3
[M]- 321.19055 178.3
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.