CID 53217187

1036761-96-2

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC(=O)NC
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(18)17-5/h6-9H,10H2,1-5H3,(H,17,18)
InChIKey
LWIZOGWOSMFUEW-UHFFFAOYSA-N
Compound name
N-methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 162.0
[M+Na]+ 298.15850 172.8
[M+NH4]+ 293.20310 172.0
[M+K]+ 314.13244 166.1
[M-H]- 274.16200 167.7
[M+Na-2H]- 296.14395 169.2
[M]+ 275.16873 165.4
[M]- 275.16983 165.4
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

patents stripe