CID 60244

108367-25-5

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=NC=C2
InChI
InChI=1S/C18H22N2O2/c1-3-20(4-2)14-17(15-8-6-5-7-9-15)22-18(21)16-10-12-19-13-11-16/h5-13,17H,3-4,14H2,1-2H3
InChIKey
YAKYUIXRAZSVTR-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-1-phenylethyl] pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.7
[M+Na]+ 321.15734 176.3
[M-H]- 297.16084 178.3
[M+NH4]+ 316.20194 185.9
[M+K]+ 337.13128 174.1
[M+H-H2O]+ 281.16538 162.8
[M+HCOO]- 343.16632 194.5
[M+CH3COO]- 357.18197 209.1
[M+Na-2H]- 319.14279 175.9
[M]+ 298.16757 174.9
[M]- 298.16867 174.9
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.