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]+ 455.29045 214.0
[M+Na]+ 477.27239 225.0
[M+NH4]+ 472.31699 218.7
[M+K]+ 493.24633 218.7
[M-H]- 453.27589 217.2
[M+Na-2H]- 475.25784 219.8
[M]+ 454.28262 216.4
[M]- 454.28372 216.4
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.