CID 245136

2-(methylamino)-1-phenylethyl diphenylborinate

Structural Information

Molecular Formula
C21H22BNO
SMILES
B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(CNC)C3=CC=CC=C3
InChI
InChI=1S/C21H22BNO/c1-23-17-21(18-11-5-2-6-12-18)24-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23H,17H2,1H3
InChIKey
KTSYHMWGYLJGJN-UHFFFAOYSA-N
Compound name
2-diphenylboranyloxy-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.17944 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.18672 175.8
[M+Na]+ 338.16866 178.6
[M-H]- 314.17216 184.1
[M+NH4]+ 333.21326 188.5
[M+K]+ 354.14260 173.7
[M+H-H2O]+ 298.17670 165.9
[M+HCOO]- 360.17764 197.9
[M+CH3COO]- 374.19329 209.9
[M+Na-2H]- 336.15411 180.2
[M]+ 315.17889 174.2
[M]- 315.17999 174.2
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.