CID 55602

Brn 4615748

Structural Information

Molecular Formula
C34H44N4O3
SMILES
CC(=O)C1=C(C=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C34H44N4O3/c1-29(39)33-15-14-32(40-26-8-16-35-18-22-37(23-19-35)30-10-4-2-5-11-30)28-34(33)41-27-9-17-36-20-24-38(25-21-36)31-12-6-3-7-13-31/h2-7,10-15,28H,8-9,16-27H2,1H3
InChIKey
QSFJDODKZHIOJM-UHFFFAOYSA-N
Compound name
1-[2,4-bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.3414 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.34868 243.9
[M+Na]+ 579.33062 257.5
[M+NH4]+ 574.37522 248.6
[M+K]+ 595.30456 247.4
[M-H]- 555.33412 251.5
[M+Na-2H]- 577.31607 252.4
[M]+ 556.34085 247.9
[M]- 556.34195 247.9
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.