CID 12177223

618442-57-2

Structural Information

Molecular Formula
C30H35B2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)B5OC(C(O5)(C)C)(C)C)C6=CC=CC=C6
InChI
InChI=1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-25-23(18-20)24-19-21(32-36-29(5,6)30(7,8)37-32)15-17-26(24)33(25)22-12-10-9-11-13-22/h9-19H,1-8H3
InChIKey
BMKVLWGCSCKZTD-UHFFFAOYSA-N
Compound name
9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

84
Patents

495.2752 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.28248 209.0
[M+Na]+ 518.26442 221.8
[M-H]- 494.26792 226.5
[M+NH4]+ 513.30902 225.3
[M+K]+ 534.23836 220.6
[M+H-H2O]+ 478.27246 203.0
[M+HCOO]- 540.27340 223.1
[M+CH3COO]- 554.28905 220.7
[M+Na-2H]- 516.24987 207.3
[M]+ 495.27465 218.2
[M]- 495.27575 218.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe