CID 10121148

436853-30-4

Structural Information

Molecular Formula
C24H24B2N2O4
SMILES
B(C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=C(C=C4)B(O)O)(O)O
InChI
InChI=1S/C24H24B2N2O4/c29-25(30)23-5-1-19(2-6-23)17-27-13-9-21(10-14-27)22-11-15-28(16-12-22)18-20-3-7-24(8-4-20)26(31)32/h1-16,29-32H,17-18H2/q+2
InChIKey
LCDUXZDMVHVZBP-UHFFFAOYSA-N
Compound name
[4-[[4-[1-[(4-boronophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

426.19223 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.19951 203.0
[M+Na]+ 449.18145 222.1
[M+NH4]+ 444.22605 210.5
[M+K]+ 465.15539 216.1
[M-H]- 425.18495 212.0
[M+Na-2H]- 447.16690 214.7
[M]+ 426.19168 209.1
[M]- 426.19278 209.1
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