CID 46739048

4-phenyliminomethylphenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C19H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3=CC=CC=C3
InChI
InChI=1S/C19H22BNO2/c1-18(2)19(3,4)23-20(22-18)16-12-10-15(11-13-16)14-21-17-8-6-5-7-9-17/h5-14H,1-4H3
InChIKey
QOACLCIBJOVFJC-UHFFFAOYSA-N
Compound name
N-phenyl-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

307.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18163 170.5
[M+Na]+ 330.16357 179.0
[M-H]- 306.16707 183.4
[M+NH4]+ 325.20817 189.1
[M+K]+ 346.13751 177.6
[M+H-H2O]+ 290.17161 163.3
[M+HCOO]- 352.17255 193.7
[M+CH3COO]- 366.18820 183.7
[M+Na-2H]- 328.14902 176.0
[M]+ 307.17380 173.4
[M]- 307.17490 173.4
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.