CID 218347

40502-71-4

Structural Information

Molecular Formula
C24H34N2O
SMILES
CC(C)C(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O
InChI
InChI=1S/C24H34N2O/c1-20(2)24(27,22-12-8-5-9-13-22)23(18-21-10-6-4-7-11-21)19-26-16-14-25(3)15-17-26/h4-13,20,23,27H,14-19H2,1-3H3
InChIKey
UFTFZXGGSQZPJA-UHFFFAOYSA-N
Compound name
2-benzyl-4-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.26712 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.274396 193.8
[M+Na]+ 389.256338 194.3
[M-H]- 365.259844 197.1
[M+NH4]+ 384.300943 201.5
[M+K]+ 405.230278 188.8
[M+H-H2O]+ 349.264380 182.8
[M+HCOO]- 411.265321 204.0
[M+CH3COO]- 425.280971 216.7
[M+Na-2H]- 387.241786 193.4
[M]+ 366.26657142 188.4
[M]- 366.26766858 188.4
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.