CID 218349

40502-72-5

Structural Information

Molecular Formula
C26H36N2O
SMILES
CN1CCN(CC1)CC(CC2=CC=CC=C2)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H36N2O/c1-27-16-18-28(19-17-27)21-25(20-22-10-4-2-5-11-22)26(29,24-14-8-9-15-24)23-12-6-3-7-13-23/h2-7,10-13,24-25,29H,8-9,14-21H2,1H3
InChIKey
DJPAVLKJTMRFBI-UHFFFAOYSA-N
Compound name
2-benzyl-1-cyclopentyl-3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.28278 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.29006 201.9
[M+Na]+ 415.27200 212.7
[M+NH4]+ 410.31660 209.3
[M+K]+ 431.24594 206.4
[M-H]- 391.27550 207.9
[M+Na-2H]- 413.25745 209.8
[M]+ 392.28223 205.1
[M]- 392.28333 205.1
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.