CID 212946

4'-((p-chlorobenzyl)oxy)-1-piperazineacetanilide hydrochloride

Structural Information

Molecular Formula
C19H22ClN3O2
SMILES
C1CN(CCN1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN3O2/c20-16-3-1-15(2-4-16)14-25-18-7-5-17(6-8-18)22-19(24)13-23-11-9-21-10-12-23/h1-8,21H,9-14H2,(H,22,24)
InChIKey
QIZJIWCWMCKEIV-UHFFFAOYSA-N
Compound name
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.14005 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.147326 183.9
[M+Na]+ 382.129268 187.6
[M-H]- 358.132774 187.9
[M+NH4]+ 377.173873 192.7
[M+K]+ 398.103208 180.7
[M+H-H2O]+ 342.137310 173.3
[M+HCOO]- 404.138251 195.4
[M+CH3COO]- 418.153901 191.4
[M+Na-2H]- 380.114716 186.0
[M]+ 359.13950142 180.7
[M]- 359.14059858 180.7
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.