CID 17998929

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

Structural Information

Molecular Formula
C17H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)N(CC)CC
InChI
InChI=1S/C17H26BNO3/c1-7-19(8-2)15(20)13-10-9-11-14(12-13)18-21-16(3,4)17(5,6)22-18/h9-12H,7-8H2,1-6H3
InChIKey
XCMONACECYHFCP-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

3
Patents

303.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20784 169.4
[M+Na]+ 326.18978 176.5
[M-H]- 302.19328 179.0
[M+NH4]+ 321.23438 188.4
[M+K]+ 342.16372 177.7
[M+H-H2O]+ 286.19782 164.3
[M+HCOO]- 348.19876 190.0
[M+CH3COO]- 362.21441 210.8
[M+Na-2H]- 324.17523 172.3
[M]+ 303.20001 174.5
[M]- 303.20111 174.5
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