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]+ 411.22783 201.9
[M+Na]+ 433.20977 206.4
[M-H]- 409.21327 208.0
[M+NH4]+ 428.25437 209.3
[M+K]+ 449.18371 202.4
[M+H-H2O]+ 393.21781 190.4
[M+HCOO]- 455.21875 216.1
[M+CH3COO]- 469.23440 227.2
[M+Na-2H]- 431.19522 198.4
[M]+ 410.22000 203.2
[M]- 410.22110 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.