CID 3043296

55315-94-1

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CC1=CC=CC=C1OCC(CN2CCOCC2)OC(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H24N2O4/c1-16-5-2-3-7-19(16)25-15-18(14-22-9-11-24-12-10-22)26-20(23)17-6-4-8-21-13-17/h2-8,13,18H,9-12,14-15H2,1H3
InChIKey
ARPJPOZOXLBTKW-UHFFFAOYSA-N
Compound name
[1-(2-methylphenoxy)-3-morpholin-4-ylpropan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 185.4
[M+Na]+ 379.16282 187.8
[M-H]- 355.16632 191.3
[M+NH4]+ 374.20742 192.5
[M+K]+ 395.13676 185.9
[M+H-H2O]+ 339.17086 173.7
[M+HCOO]- 401.17180 200.0
[M+CH3COO]- 415.18745 212.0
[M+Na-2H]- 377.14827 187.4
[M]+ 356.17305 185.0
[M]- 356.17415 185.0
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.