CID 53004

Brn 5195275

Structural Information

Molecular Formula
C36H37ClN4O
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)C(=C(O3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl)C7=CC=CC=C7
InChI
InChI=1S/C36H37ClN4O/c37-30-14-12-29(13-15-30)36-33-16-11-28(26-38-17-21-40(22-18-38)31-7-3-1-4-8-31)25-34(33)42-35(36)27-39-19-23-41(24-20-39)32-9-5-2-6-10-32/h1-16,25H,17-24,26-27H2
InChIKey
PHEJUUMPYCGEDK-UHFFFAOYSA-N
Compound name
1-[[3-(4-chlorophenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-6-yl]methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.26556 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.27284 248.1
[M+Na]+ 599.25478 268.1
[M+NH4]+ 594.29938 256.1
[M+K]+ 615.22872 256.5
[M-H]- 575.25828 261.3
[M+Na-2H]- 597.24023 259.4
[M]+ 576.26501 255.5
[M]- 576.26611 255.5
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

No patent data available for this compound.