CID 9156505

2-(3,5-dimethylphenoxy)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC(=CC(=C1)OCC(=O)N2CCNCC2)C
InChI
InChI=1S/C14H20N2O2/c1-11-7-12(2)9-13(8-11)18-10-14(17)16-5-3-15-4-6-16/h7-9,15H,3-6,10H2,1-2H3
InChIKey
QZOQMJRMJRUKBW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenoxy)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 159.6
[M+Na]+ 271.141698 164.5
[M-H]- 247.145204 161.3
[M+NH4]+ 266.186303 173.1
[M+K]+ 287.115638 161.0
[M+H-H2O]+ 231.149740 150.8
[M+HCOO]- 293.150681 175.1
[M+CH3COO]- 307.166331 191.6
[M+Na-2H]- 269.127146 161.6
[M]+ 248.15193142 155.7
[M]- 248.15302858 155.7
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

patents stripe