CID 39479

2,4,6-triallyl-1,3,5-triphenylborazine

Structural Information

Molecular Formula
C27H30B3N3
SMILES
B1(N(B(N(B(N1CC=C)C2=CC=CC=C2)CC=C)C3=CC=CC=C3)CC=C)C4=CC=CC=C4
InChI
InChI=1S/C27H30B3N3/c1-4-22-31-28(25-16-10-7-11-17-25)32(23-5-2)30(27-20-14-9-15-21-27)33(24-6-3)29(31)26-18-12-8-13-19-26/h4-21H,1-3,22-24H2
InChIKey
ILEHBYVSGZSFJS-UHFFFAOYSA-N
Compound name
2,4,6-triphenyl-1,3,5-tris(prop-2-enyl)-1,3,5,2,4,6-triazatriborinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.27188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27916 210.6
[M+Na]+ 452.26110 215.1
[M-H]- 428.26460 217.0
[M+NH4]+ 447.30570 215.2
[M+K]+ 468.23504 204.3
[M+H-H2O]+ 412.26914 196.0
[M+HCOO]- 474.27008 223.9
[M+CH3COO]- 488.28573 216.5
[M+Na-2H]- 450.24655 208.4
[M]+ 429.27133 206.0
[M]- 429.27243 206.0
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.