CID 4712678

400727-57-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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

No literature data available for this compound.

Patent stripe

patents stripe