CID 1716317

125849-28-7

Structural Information

Molecular Formula
C22H30N2O2
SMILES
C1CN(CCN1CCCO)CCCOC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c25-18-6-12-23-14-16-24(17-15-23)13-7-19-26-22-11-5-4-10-21(22)20-8-2-1-3-9-20/h1-5,8-11,25H,6-7,12-19H2
InChIKey
JFOBDJIGCMWFAA-UHFFFAOYSA-N
Compound name
3-[4-[3-(2-phenylphenoxy)propyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

354.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 191.3
[M+Na]+ 377.21996 204.5
[M+NH4]+ 372.26456 198.4
[M+K]+ 393.19390 195.2
[M-H]- 353.22346 196.2
[M+Na-2H]- 375.20541 199.3
[M]+ 354.23019 194.5
[M]- 354.23129 194.5
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