CID 55420

Brn 4545348

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC(=O)NC1=CC=CC=C1OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c1-18(25)22-20-10-5-6-11-21(20)26-17-7-12-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h2-6,8-11H,7,12-17H2,1H3,(H,22,25)
InChIKey
CFIAOFPGDQYHGF-UHFFFAOYSA-N
Compound name
N-[2-[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]+ 354.217606 187.0
[M+Na]+ 376.199548 189.4
[M-H]- 352.203054 192.2
[M+NH4]+ 371.244153 195.8
[M+K]+ 392.173488 184.4
[M+H-H2O]+ 336.207590 175.2
[M+HCOO]- 398.208531 203.8
[M+CH3COO]- 412.224181 215.9
[M+Na-2H]- 374.184996 188.8
[M]+ 353.20978142 183.9
[M]- 353.21087858 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.