CID 3033717

85868-52-6

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)
InChIKey
KYJSZRFHGZEXQS-UHFFFAOYSA-N
Compound name
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.21033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 188.4
[M+Na]+ 376.19955 200.9
[M+NH4]+ 371.24415 195.1
[M+K]+ 392.17349 192.7
[M-H]- 352.20305 193.7
[M+Na-2H]- 374.18500 196.7
[M]+ 353.20978 191.5
[M]- 353.21088 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.