CID 55374

Benzenamine, n,n'-((phenylborylene)bis(methylene))bis-

Structural Information

Molecular Formula
C20H21BN2
SMILES
B(CNC1=CC=CC=C1)(CNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21BN2/c1-4-10-18(11-5-1)21(16-22-19-12-6-2-7-13-19)17-23-20-14-8-3-9-15-20/h1-15,22-23H,16-17H2
InChIKey
FJGFCBUJNGYFKJ-UHFFFAOYSA-N
Compound name
N-[[anilinomethyl(phenyl)boranyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.17978 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.18706 169.7
[M+Na]+ 323.16900 172.6
[M-H]- 299.17250 178.0
[M+NH4]+ 318.21360 182.9
[M+K]+ 339.14294 166.7
[M+H-H2O]+ 283.17704 159.8
[M+HCOO]- 345.17798 194.0
[M+CH3COO]- 359.19363 179.7
[M+Na-2H]- 321.15445 176.5
[M]+ 300.17923 166.4
[M]- 300.18033 166.4
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.