CID 210490

21263-35-4

Structural Information

Molecular Formula
C27H38N2O4
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C27H38N2O4/c1-27(2,3)33-26(19-21-9-7-6-8-10-21)29-17-15-28(16-18-29)14-13-24(30)23-12-11-22(31-4)20-25(23)32-5/h6-12,20,26H,13-19H2,1-5H3
InChIKey
LARQGVQRGLJWQI-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.28317 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.290446 215.2
[M+Na]+ 477.272388 216.4
[M-H]- 453.275894 220.2
[M+NH4]+ 472.316993 220.2
[M+K]+ 493.246328 213.0
[M+H-H2O]+ 437.280430 203.3
[M+HCOO]- 499.281371 226.6
[M+CH3COO]- 513.297021 235.1
[M+Na-2H]- 475.257836 212.8
[M]+ 454.28262142 216.9
[M]- 454.28371858 216.9
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

No patent data available for this compound.