CID 3043294

55315-92-9

Structural Information

Molecular Formula
C20H24N2O5
SMILES
COC1=CC=C(C=C1)OCC(CN2CCOCC2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H24N2O5/c1-24-17-4-6-18(7-5-17)26-15-19(14-22-9-11-25-12-10-22)27-20(23)16-3-2-8-21-13-16/h2-8,13,19H,9-12,14-15H2,1H3
InChIKey
UZJUTIFSJMLHPB-UHFFFAOYSA-N
Compound name
[1-(4-methoxyphenoxy)-3-morpholin-4-ylpropan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 187.8
[M+Na]+ 395.15774 189.9
[M-H]- 371.16124 193.6
[M+NH4]+ 390.20234 194.1
[M+K]+ 411.13168 188.8
[M+H-H2O]+ 355.16578 175.8
[M+HCOO]- 417.16672 202.5
[M+CH3COO]- 431.18237 214.1
[M+Na-2H]- 393.14319 189.9
[M]+ 372.16797 188.7
[M]- 372.16907 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.