CID 200871

Piperazine, 1,4-bis((2-methoxyphenoxy)acetyl)-

Structural Information

Molecular Formula
C22H26N2O6
SMILES
COC1=CC=CC=C1OCC(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3OC
InChI
InChI=1S/C22H26N2O6/c1-27-17-7-3-5-9-19(17)29-15-21(25)23-11-13-24(14-12-23)22(26)16-30-20-10-6-4-8-18(20)28-2/h3-10H,11-16H2,1-2H3
InChIKey
AGTJUFFDJQCSAP-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

414.17908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.186356 197.8
[M+Na]+ 437.168298 200.8
[M-H]- 413.171804 203.4
[M+NH4]+ 432.212903 204.1
[M+K]+ 453.142238 198.6
[M+H-H2O]+ 397.176340 185.7
[M+HCOO]- 459.177281 213.0
[M+CH3COO]- 473.192931 223.1
[M+Na-2H]- 435.153746 197.1
[M]+ 414.17853142 200.3
[M]- 414.17962858 200.3
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

No patent data available for this compound.