CID 9543521

5-cyano-n-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CCOC1=C(C=CC(=N1)C(=O)NCC2=C(C=CC(=C2)OC)OC)C#N
InChI
InChI=1S/C18H19N3O4/c1-4-25-18-12(10-19)5-7-15(21-18)17(22)20-11-13-9-14(23-2)6-8-16(13)24-3/h5-9H,4,11H2,1-3H3,(H,20,22)
InChIKey
VEGKZYFYGCWXMN-UHFFFAOYSA-N
Compound name
5-cyano-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

341.13754 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 179.3
[M+Na]+ 364.12676 188.1
[M-H]- 340.13026 183.2
[M+NH4]+ 359.17136 189.6
[M+K]+ 380.10070 184.6
[M+H-H2O]+ 324.13480 163.4
[M+HCOO]- 386.13574 198.0
[M+CH3COO]- 400.15139 223.9
[M+Na-2H]- 362.11221 181.1
[M]+ 341.13699 179.1
[M]- 341.13809 179.1
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