CID 28079

16785-32-3

Structural Information

Molecular Formula
C20H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H25N3O4/c1-25-17-12-15(13-18(26-2)20(17)27-3)16(24)14-22-8-10-23(11-9-22)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
SRFGDSNVKQSGIM-UHFFFAOYSA-N
Compound name
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1845 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.191776 190.1
[M+Na]+ 394.173718 195.3
[M-H]- 370.177224 194.9
[M+NH4]+ 389.218323 197.4
[M+K]+ 410.147658 191.6
[M+H-H2O]+ 354.181760 177.9
[M+HCOO]- 416.182701 205.1
[M+CH3COO]- 430.198351 218.0
[M+Na-2H]- 392.159166 190.5
[M]+ 371.18395142 191.4
[M]- 371.18504858 191.4
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.