CID 3050287

Ethanone, 1-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-18(24)19-8-10-21(11-9-19)25-17-5-12-22-13-15-23(16-14-22)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3
InChIKey
WUACASOFWVSHIR-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.9
[M+Na]+ 361.188648 187.1
[M-H]- 337.192154 189.1
[M+NH4]+ 356.233253 193.5
[M+K]+ 377.162588 182.1
[M+H-H2O]+ 321.196690 172.3
[M+HCOO]- 383.197631 199.6
[M+CH3COO]- 397.213281 211.5
[M+Na-2H]- 359.174096 185.0
[M]+ 338.19888142 181.4
[M]- 338.19997858 181.4
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.