CID 58106403

1169709-19-6

Structural Information

Molecular Formula
C25H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C25H25BN2O2/c1-24(2)25(3,4)30-26(29-24)19-14-16-20(17-15-19)28-22-13-9-8-12-21(22)27-23(28)18-10-6-5-7-11-18/h5-17H,1-4H3
InChIKey
VEERZEPSDURMPP-UHFFFAOYSA-N
Compound name
2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

396.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20818 194.0
[M+Na]+ 419.19012 205.3
[M-H]- 395.19362 207.9
[M+NH4]+ 414.23472 208.4
[M+K]+ 435.16406 201.1
[M+H-H2O]+ 379.19816 184.0
[M+HCOO]- 441.19910 212.8
[M+CH3COO]- 455.21475 205.7
[M+Na-2H]- 417.17557 195.2
[M]+ 396.20035 198.5
[M]- 396.20145 198.5
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