CID 64856

23770-98-1

Structural Information

Molecular Formula
C21H27N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C21H27N3O4/c1-26-17-14-16(15-18(27-2)21(17)28-3)7-8-20(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-6,9,14-15H,7-8,10-13H2,1-3H3
InChIKey
KECMDPQOQQELGY-UHFFFAOYSA-N
Compound name
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 194.7
[M+Na]+ 408.18938 207.8
[M+NH4]+ 403.23398 199.8
[M+K]+ 424.16332 201.1
[M-H]- 384.19288 198.1
[M+Na-2H]- 406.17483 201.4
[M]+ 385.19961 197.3
[M]- 385.20071 197.3
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.