CID 50502

Brn 0587268

Structural Information

Molecular Formula
C25H23ClN2O2
SMILES
C1CN(CCN1CC2=C(C=CC3=C2C(=C(O3)C4=CC=CC=C4)Cl)O)C5=CC=CC=C5
InChI
InChI=1S/C25H23ClN2O2/c26-24-23-20(17-27-13-15-28(16-14-27)19-9-5-2-6-10-19)21(29)11-12-22(23)30-25(24)18-7-3-1-4-8-18/h1-12,29H,13-17H2
InChIKey
OPIYJGXBQGFZKZ-UHFFFAOYSA-N
Compound name
3-chloro-2-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1448 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15208 202.1
[M+Na]+ 441.13402 210.4
[M-H]- 417.13752 212.0
[M+NH4]+ 436.17862 210.6
[M+K]+ 457.10796 202.6
[M+H-H2O]+ 401.14206 190.6
[M+HCOO]- 463.14300 213.1
[M+CH3COO]- 477.15865 210.7
[M+Na-2H]- 439.11947 202.2
[M]+ 418.14425 203.0
[M]- 418.14535 203.0
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.