CID 3025323

Brn 0300236

Structural Information

Molecular Formula
C21H28N2O
SMILES
CN1CCN(CC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-22-14-16-23(17-15-22)13-5-6-19-9-11-20(12-10-19)18-24-21-7-3-2-4-8-21/h2-4,7-12H,5-6,13-18H2,1H3
InChIKey
YLDGHTMHNDCRGY-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-[4-(phenoxymethyl)phenyl]propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 183.2
[M+Na]+ 347.20937 197.8
[M+NH4]+ 342.25397 191.4
[M+K]+ 363.18331 187.8
[M-H]- 323.21287 189.2
[M+Na-2H]- 345.19482 192.6
[M]+ 324.21960 187.1
[M]- 324.22070 187.1
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.