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 215.2
[M+Na]+ 477.27239 216.4
[M-H]- 453.27589 220.2
[M+NH4]+ 472.31699 220.2
[M+K]+ 493.24633 213.0
[M+H-H2O]+ 437.28043 203.3
[M+HCOO]- 499.28137 226.6
[M+CH3COO]- 513.29702 235.1
[M+Na-2H]- 475.25784 212.8
[M]+ 454.28262 216.9
[M]- 454.28372 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.