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 183.6
[M+Na]+ 362.18389 187.4
[M-H]- 338.18739 188.9
[M+NH4]+ 357.22849 193.0
[M+K]+ 378.15783 182.3
[M+H-H2O]+ 322.19193 172.3
[M+HCOO]- 384.19287 200.1
[M+CH3COO]- 398.20852 214.3
[M+Na-2H]- 360.16934 184.2
[M]+ 339.19412 179.7
[M]- 339.19522 179.7
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.