CID 2758657

832114-07-5

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N(C)C
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-9-7-8-11(10-12)13(18)17(5)6/h7-10H,1-6H3
InChIKey
CHLGBYJEMLCJJJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 161.4
[M+Na]+ 298.15850 172.3
[M+NH4]+ 293.20310 171.6
[M+K]+ 314.13244 166.2
[M-H]- 274.16200 167.4
[M+Na-2H]- 296.14395 168.8
[M]+ 275.16873 164.9
[M]- 275.16983 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe