CID 28761

17766-77-7

Structural Information

Molecular Formula
C19H23N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H23N3O4/c1-24-15-12-14(13-16(25-2)18(15)26-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKey
FCSIXXHVPJCRTN-UHFFFAOYSA-N
Compound name
(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

357.16885 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 185.9
[M+Na]+ 380.15807 199.5
[M+NH4]+ 375.20267 191.4
[M+K]+ 396.13201 193.2
[M-H]- 356.16157 189.4
[M+Na-2H]- 378.14352 193.1
[M]+ 357.16830 188.7
[M]- 357.16940 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.