CID 1013974

Piperazine, 1,4-bis((2,5-dimethylphenoxy)acetyl)-

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)N2CCN(CC2)C(=O)COC3=C(C=CC(=C3)C)C
InChI
InChI=1S/C24H30N2O4/c1-17-5-7-19(3)21(13-17)29-15-23(27)25-9-11-26(12-10-25)24(28)16-30-22-14-18(2)6-8-20(22)4/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKey
QTGLOUGYULTZMX-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenoxy)-1-[4-[2-(2,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 201.9
[M+Na]+ 433.209768 206.4
[M-H]- 409.213274 208.0
[M+NH4]+ 428.254373 209.3
[M+K]+ 449.183708 202.4
[M+H-H2O]+ 393.217810 190.4
[M+HCOO]- 455.218751 216.1
[M+CH3COO]- 469.234401 227.2
[M+Na-2H]- 431.195216 198.4
[M]+ 410.22000142 203.2
[M]- 410.22109858 203.2
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

No patent data available for this compound.