CID 200870

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

Structural Information

Molecular Formula
C22H26N2O6
SMILES
COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H26N2O6/c1-27-17-3-7-19(8-4-17)29-15-21(25)23-11-13-24(14-12-23)22(26)16-30-20-9-5-18(28-2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKey
ZFNHZAHQXYCCTJ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.17908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 197.8
[M+Na]+ 437.16830 200.8
[M-H]- 413.17180 203.4
[M+NH4]+ 432.21290 204.1
[M+K]+ 453.14224 198.6
[M+H-H2O]+ 397.17634 185.7
[M+HCOO]- 459.17728 213.0
[M+CH3COO]- 473.19293 223.1
[M+Na-2H]- 435.15375 197.1
[M]+ 414.17853 200.3
[M]- 414.17963 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

No literature data available for this compound.

Patent stripe

patents stripe