CID 46739747

4-(4-furfuryl)iminomethyl phenyl boronic acid pinacol ester

Structural Information

Molecular Formula
C18H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NCC3=CC=CO3
InChI
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-9-7-14(8-10-15)12-20-13-16-6-5-11-21-16/h5-12H,13H2,1-4H3
InChIKey
IIAOBOBJQMILAT-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-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

311.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17656 169.5
[M+Na]+ 334.15850 178.0
[M-H]- 310.16200 183.0
[M+NH4]+ 329.20310 188.3
[M+K]+ 350.13244 178.3
[M+H-H2O]+ 294.16654 164.4
[M+HCOO]- 356.16748 192.9
[M+CH3COO]- 370.18313 208.2
[M+Na-2H]- 332.14395 174.1
[M]+ 311.16873 174.9
[M]- 311.16983 174.9
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.