CID 210502

21263-41-2

Structural Information

Molecular Formula
C26H36N2O5
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H36N2O5/c1-5-33-25(17-20-9-7-6-8-10-20)28-15-13-27(14-16-28)12-11-22(29)21-18-23(30-2)26(32-4)24(19-21)31-3/h6-10,18-19,25H,5,11-17H2,1-4H3
InChIKey
XMZVNJZADWNGRK-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.26242 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.26970 213.8
[M+Na]+ 479.25164 225.2
[M+NH4]+ 474.29624 218.2
[M+K]+ 495.22558 218.5
[M-H]- 455.25514 217.1
[M+Na-2H]- 477.23709 219.0
[M]+ 456.26187 216.2
[M]- 456.26297 216.2
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.