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]+ 329.18596 180.2
[M+Na]+ 351.16790 183.2
[M-H]- 327.17140 185.6
[M+NH4]+ 346.21250 192.1
[M+K]+ 367.14184 181.5
[M+H-H2O]+ 311.17594 169.9
[M+HCOO]- 373.17688 201.8
[M+CH3COO]- 387.19253 214.1
[M+Na-2H]- 349.15335 182.9
[M]+ 328.17813 184.2
[M]- 328.17923 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.