CID 95749

1,4-bis(3-phenoxypropyl)piperazine

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C1CN(CCN1CCCOC2=CC=CC=C2)CCCOC3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-3-9-21(10-4-1)25-19-7-13-23-15-17-24(18-16-23)14-8-20-26-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKey
DNWSNLLGGOBYQN-UHFFFAOYSA-N
Compound name
1,4-bis(3-phenoxypropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

354.23074 Da
Monoisotopic Mass

4.1
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

No literature data available for this compound.

Patent stripe

patents stripe