CID 18979386

159191-44-3

Structural Information

Molecular Formula
C20H20BNO2
SMILES
B(C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)(O)O
InChI
InChI=1S/C20H20BNO2/c23-21(24)19-11-13-20(14-12-19)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,23-24H,15-16H2
InChIKey
KLGQJKOCSXZOBV-UHFFFAOYSA-N
Compound name
[4-(dibenzylamino)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

317.15872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16600 174.4
[M+Na]+ 340.14794 178.0
[M-H]- 316.15144 182.0
[M+NH4]+ 335.19254 186.6
[M+K]+ 356.12188 173.3
[M+H-H2O]+ 300.15598 164.9
[M+HCOO]- 362.15692 195.6
[M+CH3COO]- 376.17257 207.7
[M+Na-2H]- 338.13339 178.3
[M]+ 317.15817 172.5
[M]- 317.15927 172.5
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