CID 24842265

L 1792

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC(CN1CCN(CC1)C)(COC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-3-23(21-12-8-5-9-13-21,18-25-16-14-24(2)15-17-25)19-27-22(26)20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
InChIKey
MCIDHCCJOBQLHD-UHFFFAOYSA-N
Compound name
[2-[(4-methylpiperazin-1-yl)methyl]-2-phenylbutyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.7
[M+Na]+ 389.219958 194.6
[M-H]- 365.223464 197.5
[M+NH4]+ 384.264563 201.1
[M+K]+ 405.193898 189.7
[M+H-H2O]+ 349.228000 181.2
[M+HCOO]- 411.228941 206.1
[M+CH3COO]- 425.244591 216.0
[M+Na-2H]- 387.205406 194.4
[M]+ 366.23019142 190.0
[M]- 366.23128858 190.0
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.