CID 203533

1-piperazineacetanilide, 3'-((p-methylbenzyl)oxy)-, monohydrochloride

Structural Information

Molecular Formula
C20H25N3O2
SMILES
CC1=CC=C(C=C1)COC2=CC=CC(=C2)N3CCN(CC3)CC(=O)N
InChI
InChI=1S/C20H25N3O2/c1-16-5-7-17(8-6-16)15-25-19-4-2-3-18(13-19)23-11-9-22(10-12-23)14-20(21)24/h2-8,13H,9-12,14-15H2,1H3,(H2,21,24)
InChIKey
ZJWQHWNRWGFHKN-UHFFFAOYSA-N
Compound name
2-[4-[3-[(4-methylphenyl)methoxy]phenyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.19467 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 184.0
[M+Na]+ 362.18389 196.7
[M+NH4]+ 357.22849 190.7
[M+K]+ 378.15783 189.2
[M-H]- 338.18739 189.3
[M+Na-2H]- 360.16934 191.9
[M]+ 339.19412 187.2
[M]- 339.19522 187.2
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.