CID 218341

40502-68-9

Structural Information

Molecular Formula
C25H36N2O
SMILES
CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O
InChI
InChI=1S/C25H36N2O/c1-3-4-15-25(28,23-13-9-6-10-14-23)24(20-22-11-7-5-8-12-22)21-27-18-16-26(2)17-19-27/h5-14,24,28H,3-4,15-21H2,1-2H3
InChIKey
ZLYYDNVMQMJUHB-UHFFFAOYSA-N
Compound name
2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.28278 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29006 200.1
[M+Na]+ 403.27200 212.1
[M+NH4]+ 398.31660 207.0
[M+K]+ 419.24594 203.6
[M-H]- 379.27550 204.6
[M+Na-2H]- 401.25745 207.8
[M]+ 380.28223 203.1
[M]- 380.28333 203.1
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.