CID 54264

Brn 4561509

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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 187.0
[M+Na]+ 376.19955 189.4
[M-H]- 352.20305 192.2
[M+NH4]+ 371.24415 195.8
[M+K]+ 392.17349 184.4
[M+H-H2O]+ 336.20759 175.2
[M+HCOO]- 398.20853 203.8
[M+CH3COO]- 412.22418 215.9
[M+Na-2H]- 374.18500 188.8
[M]+ 353.20978 183.9
[M]- 353.21088 183.9
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.