CID 3050368

66307-50-4

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=CC(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2/c1-23-19-9-5-10-20(17-19)24-16-6-11-21-12-14-22(15-13-21)18-7-3-2-4-8-18/h2-5,7-10,17H,6,11-16H2,1H3
InChIKey
NTFKFYQMYMGTAH-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 180.5
[M+Na]+ 349.18865 184.2
[M-H]- 325.19215 185.8
[M+NH4]+ 344.23325 190.8
[M+K]+ 365.16259 179.5
[M+H-H2O]+ 309.19669 168.8
[M+HCOO]- 371.19763 197.4
[M+CH3COO]- 385.21328 208.5
[M+Na-2H]- 347.17410 183.3
[M]+ 326.19888 179.0
[M]- 326.19998 179.0
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.