CID 68105794

1269508-31-7

Structural Information

Molecular Formula
C27H26BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26BN3O2/c1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20/h5-18H,1-4H3
InChIKey
FXHGBACNYDFALU-UHFFFAOYSA-N
Compound name
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

541
Patents

435.2118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21908 207.4
[M+Na]+ 458.20102 216.6
[M-H]- 434.20452 220.9
[M+NH4]+ 453.24562 215.0
[M+K]+ 474.17496 212.0
[M+H-H2O]+ 418.20906 193.5
[M+HCOO]- 480.21000 223.0
[M+CH3COO]- 494.22565 216.5
[M+Na-2H]- 456.18647 208.5
[M]+ 435.21125 208.9
[M]- 435.21235 208.9
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