CID 50506

69405-76-1

Structural Information

Molecular Formula
C25H23BrN2O2
SMILES
C1CN(CCN1CC2=CC3=C(C=C(O3)C4=CC=CC=C4)C(=C2O)Br)C5=CC=CC=C5
InChI
InChI=1S/C25H23BrN2O2/c26-24-21-16-22(18-7-3-1-4-8-18)30-23(21)15-19(25(24)29)17-27-11-13-28(14-12-27)20-9-5-2-6-10-20/h1-10,15-16,29H,11-14,17H2
InChIKey
OLYAHAFKKGPCKK-UHFFFAOYSA-N
Compound name
4-bromo-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0943 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.10158 208.3
[M+Na]+ 485.08352 217.6
[M-H]- 461.08702 220.4
[M+NH4]+ 480.12812 218.2
[M+K]+ 501.05746 205.3
[M+H-H2O]+ 445.09156 204.6
[M+HCOO]- 507.09250 221.9
[M+CH3COO]- 521.10815 218.2
[M+Na-2H]- 483.06897 209.4
[M]+ 462.09375 225.2
[M]- 462.09485 225.2
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.