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]+ 374.16298 189.1
[M+Na]+ 396.14492 193.3
[M-H]- 372.14842 194.3
[M+NH4]+ 391.18952 197.9
[M+K]+ 412.11886 187.3
[M+H-H2O]+ 356.15296 178.4
[M+HCOO]- 418.15390 200.1
[M+CH3COO]- 432.16955 218.7
[M+Na-2H]- 394.13037 188.1
[M]+ 373.15515 187.0
[M]- 373.15625 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.