CID 71306602

N-benzyl-n-methyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C21H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)CC3=CC=CC=C3
InChI
InChI=1S/C21H28BNO2/c1-20(2)21(3,4)25-22(24-20)19-13-11-18(12-14-19)16-23(5)15-17-9-7-6-8-10-17/h6-14H,15-16H2,1-5H3
InChIKey
WEHWIQUQOYLIOY-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22858 180.2
[M+Na]+ 360.21052 193.8
[M+NH4]+ 355.25512 191.6
[M+K]+ 376.18446 184.4
[M-H]- 336.21402 189.9
[M+Na-2H]- 358.19597 190.9
[M]+ 337.22075 185.5
[M]- 337.22185 185.5
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.