CID 53006

Brn 5193325

Structural Information

Molecular Formula
C36H38N4O2
SMILES
C1CN(CCN1CC2=C(C=CC3=C2C(=C(O3)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=CC=C6)O)C7=CC=CC=C7
InChI
InChI=1S/C36H38N4O2/c41-32-16-17-33-36(31(32)26-37-18-22-39(23-19-37)29-12-6-2-7-13-29)35(28-10-4-1-5-11-28)34(42-33)27-38-20-24-40(25-21-38)30-14-8-3-9-15-30/h1-17,41H,18-27H2
InChIKey
GXZYCRMIZLDAEK-UHFFFAOYSA-N
Compound name
3-phenyl-2,4-bis[(4-phenylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2995 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.30678 243.9
[M+Na]+ 581.28872 262.0
[M+NH4]+ 576.33332 250.7
[M+K]+ 597.26266 252.3
[M-H]- 557.29222 256.2
[M+Na-2H]- 579.27417 254.4
[M]+ 558.29895 250.2
[M]- 558.30005 250.2
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.