CID 46739035

[3-(furfurylamino-1-carbonyl)phenyl]boronic acid pinacol ester

Structural Information

Molecular Formula
C18H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCC3=CC=CO3
InChI
InChI=1S/C18H22BNO4/c1-17(2)18(3,4)24-19(23-17)14-8-5-7-13(11-14)16(21)20-12-15-9-6-10-22-15/h5-11H,12H2,1-4H3,(H,20,21)
InChIKey
CWNRULQRLNZAGF-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17146 173.8
[M+Na]+ 350.15340 181.4
[M-H]- 326.15690 186.2
[M+NH4]+ 345.19800 191.1
[M+K]+ 366.12734 182.1
[M+H-H2O]+ 310.16144 169.2
[M+HCOO]- 372.16238 194.9
[M+CH3COO]- 386.17803 208.9
[M+Na-2H]- 348.13885 177.1
[M]+ 327.16363 178.4
[M]- 327.16473 178.4
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.