CID 200402

Piperazine, 1-(4-(p-chlorophenoxy)butyl)-4-(o-methoxyphenyl)-

Structural Information

Molecular Formula
C21H27ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN2O2/c1-25-21-7-3-2-6-20(21)24-15-13-23(14-16-24)12-4-5-17-26-19-10-8-18(22)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey
LLTJDTZZZQEHTC-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenoxy)butyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.17612 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18340 192.0
[M+Na]+ 397.16534 207.3
[M+NH4]+ 392.20994 199.9
[M+K]+ 413.13928 197.1
[M-H]- 373.16884 197.6
[M+Na-2H]- 395.15079 200.8
[M]+ 374.17557 196.2
[M]- 374.17667 196.2
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.