CID 3073535

149848-04-4

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-23-14-16-24(17-15-23)13-12-21(20-10-6-3-7-11-20)26-22(25)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKey
KCZPEZUEHNQJEL-UHFFFAOYSA-N
Compound name
[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.1
[M+Na]+ 375.20432 189.7
[M-H]- 351.20782 192.8
[M+NH4]+ 370.24892 196.8
[M+K]+ 391.17826 185.0
[M+H-H2O]+ 335.21236 176.3
[M+HCOO]- 397.21330 202.5
[M+CH3COO]- 411.22895 213.5
[M+Na-2H]- 373.18977 188.3
[M]+ 352.21455 184.9
[M]- 352.21565 184.9
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.