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]+ 357.180876 185.4
[M+Na]+ 379.162818 187.8
[M-H]- 355.166324 191.3
[M+NH4]+ 374.207423 192.5
[M+K]+ 395.136758 185.9
[M+H-H2O]+ 339.170860 173.7
[M+HCOO]- 401.171801 200.0
[M+CH3COO]- 415.187451 212.0
[M+Na-2H]- 377.148266 187.4
[M]+ 356.17305142 185.0
[M]- 356.17414858 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.