CID 493527

5-ethyl-2-methoxy-6-methyl-3-(p-tolylmethoxymethyl)pyridine

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCC1=CC(=C(N=C1C)OC)COCC2=CC=C(C=C2)C
InChI
InChI=1S/C18H23NO2/c1-5-16-10-17(18(20-4)19-14(16)3)12-21-11-15-8-6-13(2)7-9-15/h6-10H,5,11-12H2,1-4H3
InChIKey
HWXAERUPCRHZSE-UHFFFAOYSA-N
Compound name
5-ethyl-2-methoxy-6-methyl-3-[(4-methylphenyl)methoxymethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.6
[M+Na]+ 308.16210 177.1
[M-H]- 284.16560 174.3
[M+NH4]+ 303.20670 183.7
[M+K]+ 324.13604 173.3
[M+H-H2O]+ 268.17014 159.9
[M+HCOO]- 330.17108 190.7
[M+CH3COO]- 344.18673 205.3
[M+Na-2H]- 306.14755 171.7
[M]+ 285.17233 174.0
[M]- 285.17343 174.0
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.