CID 46739047

[3-(phenylaminomethyl)phenyl] boronic acid pinacol ester

Structural Information

Molecular Formula
C19H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CNC3=CC=CC=C3
InChI
InChI=1S/C19H24BNO2/c1-18(2)19(3,4)23-20(22-18)16-10-8-9-15(13-16)14-21-17-11-6-5-7-12-17/h5-13,21H,14H2,1-4H3
InChIKey
FMCOCBRSLHQLQR-UHFFFAOYSA-N
Compound name
N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19728 171.9
[M+Na]+ 332.17922 179.6
[M-H]- 308.18272 183.4
[M+NH4]+ 327.22382 189.7
[M+K]+ 348.15316 177.8
[M+H-H2O]+ 292.18726 164.9
[M+HCOO]- 354.18820 193.4
[M+CH3COO]- 368.20385 184.4
[M+Na-2H]- 330.16467 177.0
[M]+ 309.18945 173.8
[M]- 309.19055 173.8
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.