CID 71306537

1350626-27-5

Structural Information

Molecular Formula
C20H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H23BN2O2/c1-19(2)20(3,4)25-21(24-19)17-14-23(13-15-9-6-5-7-10-15)18-16(17)11-8-12-22-18/h5-12,14H,13H2,1-4H3
InChIKey
TXYJAQWDYBJALP-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

334.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19255 174.8
[M+Na]+ 357.17449 190.5
[M+NH4]+ 352.21909 186.0
[M+K]+ 373.14843 183.0
[M-H]- 333.17799 182.8
[M+Na-2H]- 355.15994 184.9
[M]+ 334.18472 179.9
[M]- 334.18582 179.9
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