CID 3050373

1-(m-methoxyphenyl)-4-(3-phenoxypropyl)piperazine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2/c1-23-20-10-5-7-18(17-20)22-14-12-21(13-15-22)11-6-16-24-19-8-3-2-4-9-19/h2-5,7-10,17H,6,11-16H2,1H3
InChIKey
MPSURKFQWWLYES-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-4-(3-phenoxypropyl)piperazine
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 181.8
[M+Na]+ 349.18865 196.1
[M+NH4]+ 344.23325 189.6
[M+K]+ 365.16259 186.9
[M-H]- 325.19215 187.4
[M+Na-2H]- 347.17410 191.0
[M]+ 326.19888 185.5
[M]- 326.19998 185.5
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.