CID 203405

14321-02-9

Structural Information

Molecular Formula
C18H24BN3
SMILES
B1(NC2=CC=CC=C2N1CCN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C18H24BN3/c1-3-21(4-2)14-15-22-18-13-9-8-12-17(18)20-19(22)16-10-6-5-7-11-16/h5-13,20H,3-4,14-15H2,1-2H3
InChIKey
PSQSATAEURPGNU-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-phenyl-1H-1,3,2-benzodiazaborol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.20633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.21361 172.3
[M+Na]+ 316.19555 185.0
[M+NH4]+ 311.24015 180.8
[M+K]+ 332.16949 178.3
[M-H]- 292.19905 176.7
[M+Na-2H]- 314.18100 179.4
[M]+ 293.20578 175.3
[M]- 293.20688 175.3
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.