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 198.8
[M+Na]+ 403.27200 199.1
[M-H]- 379.27550 201.8
[M+NH4]+ 398.31660 206.0
[M+K]+ 419.24594 192.9
[M+H-H2O]+ 363.28004 187.4
[M+HCOO]- 425.28098 209.7
[M+CH3COO]- 439.29663 218.8
[M+Na-2H]- 401.25745 199.0
[M]+ 380.28223 194.3
[M]- 380.28333 194.3
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.