CID 21123992

Ns00051225

Structural Information

Molecular Formula
C22H30N2O2
SMILES
COC1=CC=CC=C1CCN2CCN(CC2)CCC(C3=CC=CC=C3)O
InChI
InChI=1S/C22H30N2O2/c1-26-22-10-6-5-9-20(22)11-13-23-15-17-24(18-16-23)14-12-21(25)19-7-3-2-4-8-19/h2-10,21,25H,11-18H2,1H3
InChIKey
IWWDUSDUNXKFPM-UHFFFAOYSA-N
Compound name
3-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.2
[M+Na]+ 377.219958 191.3
[M-H]- 353.223464 192.8
[M+NH4]+ 372.264563 197.6
[M+K]+ 393.193898 185.8
[M+H-H2O]+ 337.228000 177.7
[M+HCOO]- 399.228941 202.9
[M+CH3COO]- 413.244591 212.8
[M+Na-2H]- 375.205406 189.4
[M]+ 354.23019142 186.0
[M]- 354.23128858 186.0
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.