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]+ 299.175396 172.7
[M+Na]+ 321.157338 176.3
[M-H]- 297.160844 178.3
[M+NH4]+ 316.201943 185.9
[M+K]+ 337.131278 174.1
[M+H-H2O]+ 281.165380 162.8
[M+HCOO]- 343.166321 194.5
[M+CH3COO]- 357.181971 209.1
[M+Na-2H]- 319.142786 175.9
[M]+ 298.16757142 174.9
[M]- 298.16866858 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.