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 199.3
[M+Na]+ 415.27200 198.1
[M-H]- 391.27550 205.1
[M+NH4]+ 410.31660 207.0
[M+K]+ 431.24594 191.9
[M+H-H2O]+ 375.28004 187.6
[M+HCOO]- 437.28098 209.0
[M+CH3COO]- 451.29663 204.6
[M+Na-2H]- 413.25745 196.3
[M]+ 392.28223 190.4
[M]- 392.28333 190.4
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.