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]+ 360.14733 183.9
[M+Na]+ 382.12927 187.6
[M-H]- 358.13277 187.9
[M+NH4]+ 377.17387 192.7
[M+K]+ 398.10321 180.7
[M+H-H2O]+ 342.13731 173.3
[M+HCOO]- 404.13825 195.4
[M+CH3COO]- 418.15390 191.4
[M+Na-2H]- 380.11472 186.0
[M]+ 359.13950 180.7
[M]- 359.14060 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.