CID 4868369

2-amino-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one dihydrochloride

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N
InChI
InChI=1S/C15H23N3O/c1-2-17-8-10-18(11-9-17)15(19)14(16)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12,16H2,1H3
InChIKey
JHRGPFIZYCKFGS-UHFFFAOYSA-N
Compound name
2-amino-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

261.1841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 164.7
[M+Na]+ 284.17332 167.6
[M-H]- 260.17682 166.7
[M+NH4]+ 279.21792 177.5
[M+K]+ 300.14726 164.3
[M+H-H2O]+ 244.18136 155.2
[M+HCOO]- 306.18230 180.6
[M+CH3COO]- 320.19795 199.1
[M+Na-2H]- 282.15877 165.6
[M]+ 261.18355 158.9
[M]- 261.18465 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.