CID 218351

40502-73-6

Structural Information

Molecular Formula
C23H32N2O
SMILES
CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O
InChI
InChI=1S/C23H32N2O/c1-3-23(26,21-12-8-5-9-13-21)22(18-20-10-6-4-7-11-20)19-25-16-14-24(2)15-17-25/h4-13,22,26H,3,14-19H2,1-2H3
InChIKey
XGYLNPIJMWASIB-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.25146 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.25874 190.2
[M+Na]+ 375.24068 191.4
[M-H]- 351.24418 193.5
[M+NH4]+ 370.28528 198.5
[M+K]+ 391.21462 185.6
[M+H-H2O]+ 335.24872 179.1
[M+HCOO]- 397.24966 201.7
[M+CH3COO]- 411.26531 212.9
[M+Na-2H]- 373.22613 191.4
[M]+ 352.25091 185.0
[M]- 352.25201 185.0
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.