CID 493534

5-ethyl-2-methoxy-6-methyl-3-(1-naphthylmethoxymethyl)pyridine

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCC1=CC(=C(N=C1C)OC)COCC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H23NO2/c1-4-16-12-19(21(23-3)22-15(16)2)14-24-13-18-10-7-9-17-8-5-6-11-20(17)18/h5-12H,4,13-14H2,1-3H3
InChIKey
YPYBVOVCTHUAEU-UHFFFAOYSA-N
Compound name
5-ethyl-2-methoxy-6-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.1
[M+Na]+ 344.16210 187.4
[M-H]- 320.16560 185.2
[M+NH4]+ 339.20670 193.3
[M+K]+ 360.13604 182.2
[M+H-H2O]+ 304.17014 169.3
[M+HCOO]- 366.17108 199.7
[M+CH3COO]- 380.18673 211.8
[M+Na-2H]- 342.14755 183.4
[M]+ 321.17233 183.9
[M]- 321.17343 183.9
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.