CID 46739736

4-(cyclohexyl)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C19H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3CCCCC3
InChI
InChI=1S/C19H28BNO2/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/h10-14,17H,5-9H2,1-4H3
InChIKey
BAVKTLABAAKQAH-UHFFFAOYSA-N
Compound name
N-cyclohexyl-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

313.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.22858 174.2
[M+Na]+ 336.21052 179.4
[M-H]- 312.21402 185.7
[M+NH4]+ 331.25512 192.2
[M+K]+ 352.18446 178.5
[M+H-H2O]+ 296.21856 167.1
[M+HCOO]- 358.21950 192.9
[M+CH3COO]- 372.23515 209.8
[M+Na-2H]- 334.19597 176.8
[M]+ 313.22075 172.7
[M]- 313.22185 172.7
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.