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 191.3
[M+Na]+ 397.16534 196.2
[M-H]- 373.16884 196.4
[M+NH4]+ 392.20994 200.8
[M+K]+ 413.13928 189.8
[M+H-H2O]+ 357.17338 179.8
[M+HCOO]- 419.17432 203.1
[M+CH3COO]- 433.18997 216.1
[M+Na-2H]- 395.15079 192.2
[M]+ 374.17557 192.7
[M]- 374.17667 192.7
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.