CID 71143518

1359833-28-5

Structural Information

Molecular Formula
C30H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-16-18-28-26(20-23)25-19-22(21-11-7-5-8-12-21)15-17-27(25)32(28)24-13-9-6-10-14-24/h5-20H,1-4H3
InChIKey
QVMVGEABPNCFOY-UHFFFAOYSA-N
Compound name
3,9-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

445.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.22858 210.2
[M+Na]+ 468.21052 221.5
[M-H]- 444.21402 226.0
[M+NH4]+ 463.25512 224.7
[M+K]+ 484.18446 216.0
[M+H-H2O]+ 428.21856 199.6
[M+HCOO]- 490.21950 227.9
[M+CH3COO]- 504.23515 221.0
[M+Na-2H]- 466.19597 210.0
[M]+ 445.22075 214.6
[M]- 445.22185 214.6
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