CID 89531535

1345614-94-9

Structural Information

Molecular Formula
C25H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C
InChI
InChI=1S/C25H26BNO2/c1-17-10-13-19(14-11-17)27-22-9-7-6-8-20(22)21-16-18(12-15-23(21)27)26-28-24(2,3)25(4,5)29-26/h6-16H,1-5H3
InChIKey
NNRXASAONFGWFE-UHFFFAOYSA-N
Compound name
9-(4-methylphenyl)-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

16
Patents

383.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.212936 192.1
[M+Na]+ 406.194878 204.4
[M-H]- 382.198384 205.3
[M+NH4]+ 401.239483 210.1
[M+K]+ 422.168818 199.9
[M+H-H2O]+ 366.202920 183.9
[M+HCOO]- 428.203861 210.6
[M+CH3COO]- 442.219511 204.5
[M+Na-2H]- 404.180326 193.5
[M]+ 383.20511142 197.8
[M]- 383.20620858 197.8
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