CID 2973061

1,4-bis[2-(benzyloxy)ethyl]piperazine

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C1CN(CCN1CCOCC2=CC=CC=C2)CCOCC3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2
InChIKey
JQQBBCXFNAHTTD-UHFFFAOYSA-N
Compound name
1,4-bis(2-phenylmethoxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

354.23074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 188.6
[M+Na]+ 377.219958 190.4
[M-H]- 353.223464 193.0
[M+NH4]+ 372.264563 197.3
[M+K]+ 393.193898 185.2
[M+H-H2O]+ 337.228000 176.2
[M+HCOO]- 399.228941 204.7
[M+CH3COO]- 413.244591 213.2
[M+Na-2H]- 375.205406 191.0
[M]+ 354.23019142 187.2
[M]- 354.23128858 187.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe