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]+ 367.27440 193.8
[M+Na]+ 389.25634 194.3
[M-H]- 365.25984 197.1
[M+NH4]+ 384.30094 201.5
[M+K]+ 405.23028 188.8
[M+H-H2O]+ 349.26438 182.8
[M+HCOO]- 411.26532 204.0
[M+CH3COO]- 425.28097 216.7
[M+Na-2H]- 387.24179 193.4
[M]+ 366.26657 188.4
[M]- 366.26767 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.