CID 3073534

149848-03-3

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-22-14-16-23(17-15-22)13-12-20(18-8-4-2-5-9-18)25-21(24)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKey
KAAQYRJCYGRFDW-UHFFFAOYSA-N
Compound name
[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.1
[M+Na]+ 361.18865 197.1
[M+NH4]+ 356.23325 191.3
[M+K]+ 377.16259 189.2
[M-H]- 337.19215 189.0
[M+Na-2H]- 359.17410 192.6
[M]+ 338.19888 187.3
[M]- 338.19998 187.3
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.