CID 55604

Brn 4615850

Structural Information

Molecular Formula
C34H44N4O3
SMILES
CC(=O)C1=C(C=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3)OCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C34H44N4O3/c1-29(39)34-32(40-27-9-17-35-19-23-37(24-20-35)30-11-4-2-5-12-30)15-8-16-33(34)41-28-10-18-36-21-25-38(26-22-36)31-13-6-3-7-14-31/h2-8,11-16H,9-10,17-28H2,1H3
InChIKey
OBWQESKKJDUDJZ-UHFFFAOYSA-N
Compound name
1-[2,6-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 241.2
[M+Na]+ 579.33062 238.8
[M-H]- 555.33412 247.1
[M+NH4]+ 574.37522 237.2
[M+K]+ 595.30456 230.9
[M+H-H2O]+ 539.33866 223.1
[M+HCOO]- 601.33960 247.1
[M+CH3COO]- 615.35525 242.1
[M+Na-2H]- 577.31607 235.9
[M]+ 556.34085 235.4
[M]- 556.34195 235.4
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.