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]+ 372.19178 190.1
[M+Na]+ 394.17372 195.3
[M-H]- 370.17722 194.9
[M+NH4]+ 389.21832 197.4
[M+K]+ 410.14766 191.6
[M+H-H2O]+ 354.18176 177.9
[M+HCOO]- 416.18270 205.1
[M+CH3COO]- 430.19835 218.0
[M+Na-2H]- 392.15917 190.5
[M]+ 371.18395 191.4
[M]- 371.18505 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.