CID 71306542

9-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-9h-carbazole

Structural Information

Molecular Formula
C25H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3C4=CC=CC=C4C5=CC=CC=C53
InChI
InChI=1S/C25H26BNO2/c1-24(2)25(3,4)29-26(28-24)19-15-13-18(14-16-19)17-27-22-11-7-5-9-20(22)21-10-6-8-12-23(21)27/h5-16H,17H2,1-4H3
InChIKey
AKZHQKVQCWCVBW-UHFFFAOYSA-N
Compound name
9-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21294 192.3
[M+Na]+ 406.19488 203.8
[M-H]- 382.19838 205.1
[M+NH4]+ 401.23948 210.0
[M+K]+ 422.16882 199.3
[M+H-H2O]+ 366.20292 183.8
[M+HCOO]- 428.20386 210.9
[M+CH3COO]- 442.21951 204.4
[M+Na-2H]- 404.18033 194.3
[M]+ 383.20511 197.6
[M]- 383.20621 197.6
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

No patent data available for this compound.