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 186.1
[M+Na]+ 380.15807 191.8
[M-H]- 356.16157 191.2
[M+NH4]+ 375.20267 194.0
[M+K]+ 396.13201 188.4
[M+H-H2O]+ 340.16611 174.1
[M+HCOO]- 402.16705 201.4
[M+CH3COO]- 416.18270 214.5
[M+Na-2H]- 378.14352 187.0
[M]+ 357.16830 187.0
[M]- 357.16940 187.0
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.