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]+ 373.175796 187.8
[M+Na]+ 395.157738 189.9
[M-H]- 371.161244 193.6
[M+NH4]+ 390.202343 194.1
[M+K]+ 411.131678 188.8
[M+H-H2O]+ 355.165780 175.8
[M+HCOO]- 417.166721 202.5
[M+CH3COO]- 431.182371 214.1
[M+Na-2H]- 393.143186 189.9
[M]+ 372.16797142 188.7
[M]- 372.16906858 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.