CID 464276

2-methoxypyridine deriv. 28

Structural Information

Molecular Formula
C19H18N2O4
SMILES
CCC1=CC(=C(N=C1C)OC)C(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18N2O4/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/h5-9H,4,10H2,1-3H3
InChIKey
GJNNKWJCBVJDQN-UHFFFAOYSA-N
Compound name
2-[2-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2-oxoethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 178.6
[M+Na]+ 361.11587 188.7
[M-H]- 337.11937 184.5
[M+NH4]+ 356.16047 192.7
[M+K]+ 377.08981 184.2
[M+H-H2O]+ 321.12391 170.1
[M+HCOO]- 383.12485 197.9
[M+CH3COO]- 397.14050 214.2
[M+Na-2H]- 359.10132 178.1
[M]+ 338.12610 183.8
[M]- 338.12720 183.8
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.