CID 90336757

1533406-38-0

Structural Information

Molecular Formula
C30H28BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=CC(=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-17-18-28-26(20-23)25-15-8-9-16-27(25)32(28)24-14-10-13-22(19-24)21-11-6-5-7-12-21/h5-20H,1-4H3
InChIKey
VQLXKJLKLNGTQF-UHFFFAOYSA-N
Compound name
9-(3-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

445.2213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.228576 210.2
[M+Na]+ 468.210518 221.5
[M-H]- 444.214024 226.0
[M+NH4]+ 463.255123 224.7
[M+K]+ 484.184458 216.0
[M+H-H2O]+ 428.218560 199.6
[M+HCOO]- 490.219501 227.9
[M+CH3COO]- 504.235151 221.0
[M+Na-2H]- 466.195966 210.0
[M]+ 445.22075142 214.6
[M]- 445.22184858 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