CID 493526

3-(benzyloxymethyl)-5-ethyl-2-methoxy-6-methyl-pyridine

Structural Information

Molecular Formula
C17H21NO2
SMILES
CCC1=CC(=C(N=C1C)OC)COCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO2/c1-4-15-10-16(17(19-3)18-13(15)2)12-20-11-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3
InChIKey
HIZMHHKEWQDTJB-UHFFFAOYSA-N
Compound name
5-ethyl-2-methoxy-6-methyl-3-(phenylmethoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 164.3
[M+Na]+ 294.14645 172.3
[M-H]- 270.14995 169.7
[M+NH4]+ 289.19105 179.7
[M+K]+ 310.12039 168.7
[M+H-H2O]+ 254.15449 155.6
[M+HCOO]- 316.15543 186.8
[M+CH3COO]- 330.17108 201.1
[M+Na-2H]- 292.13190 168.6
[M]+ 271.15668 168.9
[M]- 271.15778 168.9
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.