CID 203525

3'-((p-chlorobenzyl)oxy)-alpha-methyl-1-piperazineacetanilide monohydrochloride

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CC(C(=O)N)N1CCN(CC1)C2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3O2/c1-15(20(22)25)23-9-11-24(12-10-23)18-3-2-4-19(13-18)26-14-16-5-7-17(21)8-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,22,25)
InChIKey
ZVGMSRSMMZTAHY-UHFFFAOYSA-N
Compound name
2-[4-[3-[(4-chlorophenyl)methoxy]phenyl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.162976 189.1
[M+Na]+ 396.144918 193.3
[M-H]- 372.148424 194.3
[M+NH4]+ 391.189523 197.9
[M+K]+ 412.118858 187.3
[M+H-H2O]+ 356.152960 178.4
[M+HCOO]- 418.153901 200.1
[M+CH3COO]- 432.169551 218.7
[M+Na-2H]- 394.130366 188.1
[M]+ 373.15515142 187.0
[M]- 373.15624858 187.0
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.