CID 464277

2-methoxypyridine deriv. 29

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CCC1=CC(=C(N=C1C)OC)C(CN2C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C19H20N2O4/c1-4-12-9-15(17(25-3)20-11(12)2)16(22)10-21-18(23)13-7-5-6-8-14(13)19(21)24/h5-9,16,22H,4,10H2,1-3H3
InChIKey
FVBBILBIFFBYEP-UHFFFAOYSA-N
Compound name
2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2-hydroxyethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.1423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.4
[M+Na]+ 363.13152 189.7
[M-H]- 339.13502 184.9
[M+NH4]+ 358.17612 193.8
[M+K]+ 379.10546 185.1
[M+H-H2O]+ 323.13956 172.1
[M+HCOO]- 385.14050 198.0
[M+CH3COO]- 399.15615 212.6
[M+Na-2H]- 361.11697 179.5
[M]+ 340.14175 184.5
[M]- 340.14285 184.5
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