CID 464275

2-methoxypyridine deriv. 27

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CCC1=CC(=C(N=C1C)OC)CCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H22N2O3/c1-4-14-12-15(18(25-3)21-13(14)2)8-7-11-22-19(23)16-9-5-6-10-17(16)20(22)24/h5-6,9-10,12H,4,7-8,11H2,1-3H3
InChIKey
VUQPLAPJGBXXJW-UHFFFAOYSA-N
Compound name
2-[3-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 182.0
[M+Na]+ 361.15228 191.9
[M-H]- 337.15578 187.6
[M+NH4]+ 356.19688 196.4
[M+K]+ 377.12622 186.6
[M+H-H2O]+ 321.16032 173.1
[M+HCOO]- 383.16126 201.6
[M+CH3COO]- 397.17691 214.8
[M+Na-2H]- 359.13773 181.9
[M]+ 338.16251 187.4
[M]- 338.16361 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.