CID 57655274

Dibenzyl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-amine

Structural Information

Molecular Formula
C27H32BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C27H32BNO2/c1-26(2)27(3,4)31-28(30-26)25-17-15-24(16-18-25)21-29(19-22-11-7-5-8-12-22)20-23-13-9-6-10-14-23/h5-18H,19-21H2,1-4H3
InChIKey
HHXLGAOQEJSMFE-UHFFFAOYSA-N
Compound name
N-benzyl-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

12
Patents

413.25262 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.25990 203.7
[M+Na]+ 436.24184 209.2
[M-H]- 412.24534 218.4
[M+NH4]+ 431.28644 216.9
[M+K]+ 452.21578 206.9
[M+H-H2O]+ 396.24988 193.6
[M+HCOO]- 458.25082 223.9
[M+CH3COO]- 472.26647 213.8
[M+Na-2H]- 434.22729 205.1
[M]+ 413.25207 206.5
[M]- 413.25317 206.5
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

patents stripe