CID 464274

2-methoxypyridine deriv. 26

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CCC1=CC(=C(N=C1C)OC)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O3/c1-4-13-11-14(17(24-3)20-12(13)2)9-10-21-18(22)15-7-5-6-8-16(15)19(21)23/h5-8,11H,4,9-10H2,1-3H3
InChIKey
QYSSLWCBEHQZFN-UHFFFAOYSA-N
Compound name
2-[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

324.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 177.4
[M+Na]+ 347.136618 187.8
[M-H]- 323.140124 183.2
[M+NH4]+ 342.181223 192.4
[M+K]+ 363.110558 182.7
[M+H-H2O]+ 307.144660 168.7
[M+HCOO]- 369.145601 197.4
[M+CH3COO]- 383.161251 211.8
[M+Na-2H]- 345.122066 177.8
[M]+ 324.14685142 182.5
[M]- 324.14794858 182.5
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

patents stripe