CID 71306487

4-(cycloheptyll)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C20H30BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3CCCCCC3
InChI
InChI=1S/C20H30BNO2/c1-19(2)20(3,4)24-21(23-19)17-13-11-16(12-14-17)15-22-18-9-7-5-6-8-10-18/h11-15,18H,5-10H2,1-4H3
InChIKey
DAJPGJQEVFIZDH-UHFFFAOYSA-N
Compound name
N-cycloheptyl-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

327.23697 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.24425 178.0
[M+Na]+ 350.22619 181.1
[M-H]- 326.22969 189.8
[M+NH4]+ 345.27079 193.9
[M+K]+ 366.20013 182.5
[M+H-H2O]+ 310.23423 170.8
[M+HCOO]- 372.23517 195.4
[M+CH3COO]- 386.25082 188.1
[M+Na-2H]- 348.21164 179.3
[M]+ 327.23642 173.4
[M]- 327.23752 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.