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

3
Patents

354.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 188.6
[M+Na]+ 377.21996 190.4
[M-H]- 353.22346 193.0
[M+NH4]+ 372.26456 197.3
[M+K]+ 393.19390 185.2
[M+H-H2O]+ 337.22800 176.2
[M+HCOO]- 399.22894 204.7
[M+CH3COO]- 413.24459 213.2
[M+Na-2H]- 375.20541 191.0
[M]+ 354.23019 187.2
[M]- 354.23129 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