CID 3068841

2-(2-(4-((4-fluorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)acetamide

Structural Information

Molecular Formula
C21H26FN3O2
SMILES
C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H26FN3O2/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)25-12-10-24(11-13-25)14-15-27-16-20(23)26/h1-9,21H,10-16H2,(H2,23,26)
InChIKey
ILNDUEYFFCVAHC-UHFFFAOYSA-N
Compound name
2-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

371.2009 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20818 190.2
[M+Na]+ 394.19012 192.3
[M-H]- 370.19362 193.6
[M+NH4]+ 389.23472 197.7
[M+K]+ 410.16406 187.0
[M+H-H2O]+ 354.19816 177.6
[M+HCOO]- 416.19910 204.3
[M+CH3COO]- 430.21475 219.5
[M+Na-2H]- 392.17557 189.3
[M]+ 371.20035 184.6
[M]- 371.20145 184.6
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

patents stripe