CID 71306599

4-((di-n-propylamino)methyl)phenyl boronic acid pinacol ester hydrochloride

Structural Information

Molecular Formula
C19H32BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(CCC)CCC
InChI
InChI=1S/C19H32BNO2/c1-7-13-21(14-8-2)15-16-9-11-17(12-10-16)20-22-18(3,4)19(5,6)23-20/h9-12H,7-8,13-15H2,1-6H3
InChIKey
SEDQCITWNDZPJV-UHFFFAOYSA-N
Compound name
N-propyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.25262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.25990 176.4
[M+Na]+ 340.24184 182.6
[M-H]- 316.24534 185.4
[M+NH4]+ 335.28644 195.0
[M+K]+ 356.21578 182.8
[M+H-H2O]+ 300.24988 170.6
[M+HCOO]- 362.25082 196.9
[M+CH3COO]- 376.26647 215.1
[M+Na-2H]- 338.22729 179.1
[M]+ 317.25207 182.1
[M]- 317.25317 182.1
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.