CID 214031

27588-39-2

Structural Information

Molecular Formula
C29H43N3O3
SMILES
COC(CN1CCN(CC1)CCC(C2=CC=C(C=C2)OCCN3CCCCC3)O)C4=CC=CC=C4
InChI
InChI=1S/C29H43N3O3/c1-34-29(26-8-4-2-5-9-26)24-32-20-18-31(19-21-32)17-14-28(33)25-10-12-27(13-11-25)35-23-22-30-15-6-3-7-16-30/h2,4-5,8-13,28-29,33H,3,6-7,14-24H2,1H3
InChIKey
HRJFIRYZSDUKCR-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.33044 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.33772 221.2
[M+Na]+ 504.31966 217.3
[M-H]- 480.32316 224.2
[M+NH4]+ 499.36426 221.4
[M+K]+ 520.29360 211.6
[M+H-H2O]+ 464.32770 206.3
[M+HCOO]- 526.32864 226.9
[M+CH3COO]- 540.34429 235.8
[M+Na-2H]- 502.30511 216.3
[M]+ 481.32989 214.3
[M]- 481.33099 214.3
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.