CID 979081

2-[4-(3-chlorophenyl)piperazin-1-yl]-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C24H24ClN3O2
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H24ClN3O2/c25-19-5-4-6-21(17-19)28-15-13-27(14-16-28)18-24(29)26-20-9-11-23(12-10-20)30-22-7-2-1-3-8-22/h1-12,17H,13-16,18H2,(H,26,29)
InChIKey
HQODTXWUVKNYSF-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1557 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.16298 201.1
[M+Na]+ 444.14492 205.0
[M-H]- 420.14842 209.2
[M+NH4]+ 439.18952 207.4
[M+K]+ 460.11886 197.5
[M+H-H2O]+ 404.15296 188.2
[M+HCOO]- 466.15390 213.3
[M+CH3COO]- 480.16955 208.0
[M+Na-2H]- 442.13037 202.5
[M]+ 421.15515 199.0
[M]- 421.15625 199.0
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.