CID 95748

1,4-bis(2-phenoxyethyl)piperazine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
C1CN(CCN1CCOC2=CC=CC=C2)CCOC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2/c1-3-7-19(8-4-1)23-17-15-21-11-13-22(14-12-21)16-18-24-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKey
BZWZYAJFANAJOR-UHFFFAOYSA-N
Compound name
1,4-bis(2-phenoxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

326.19943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 179.9
[M+Na]+ 349.188648 182.6
[M-H]- 325.192154 184.7
[M+NH4]+ 344.233253 189.9
[M+K]+ 365.162588 177.9
[M+H-H2O]+ 309.196690 168.0
[M+HCOO]- 371.197631 196.8
[M+CH3COO]- 385.213281 207.3
[M+Na-2H]- 347.174096 183.4
[M]+ 326.19888142 177.9
[M]- 326.19997858 177.9
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