CID 3043299

55315-96-3

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCN(CC)CC(COC1=CC=CC=C1)OC(=O)C2=CN=CC=C2
InChI
InChI=1S/C19H24N2O3/c1-3-21(4-2)14-18(15-23-17-10-6-5-7-11-17)24-19(22)16-9-8-12-20-13-16/h5-13,18H,3-4,14-15H2,1-2H3
InChIKey
CUDXMABUDRGRKS-UHFFFAOYSA-N
Compound name
[1-(diethylamino)-3-phenoxypropan-2-yl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 180.2
[M+Na]+ 351.167898 183.2
[M-H]- 327.171404 185.6
[M+NH4]+ 346.212503 192.1
[M+K]+ 367.141838 181.5
[M+H-H2O]+ 311.175940 169.9
[M+HCOO]- 373.176881 201.8
[M+CH3COO]- 387.192531 214.1
[M+Na-2H]- 349.153346 182.9
[M]+ 328.17813142 184.2
[M]- 328.17922858 184.2
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.