CID 3620866

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

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)N
InChI
InChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChIKey
RWTLIEHGUJVESA-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

247.16846 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.8
[M+Na]+ 270.15768 170.2
[M+NH4]+ 265.20228 166.9
[M+K]+ 286.13162 164.5
[M-H]- 246.16118 162.6
[M+Na-2H]- 268.14313 165.6
[M]+ 247.16791 161.7
[M]- 247.16901 161.7
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

patents stripe