CID 162576

2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate

Structural Information

Molecular Formula
C21H24N4O6
SMILES
CCN1C(=C(C(=C(C1=O)N=NC2=CC=C(C=C2)C(=O)OCCOCCOC)C)C#N)O
InChI
InChI=1S/C21H24N4O6/c1-4-25-19(26)17(13-22)14(2)18(20(25)27)24-23-16-7-5-15(6-8-16)21(28)31-12-11-30-10-9-29-3/h5-8,26H,4,9-12H2,1-3H3
InChIKey
AKKLPLPBIJUVIJ-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethyl 4-[(5-cyano-1-ethyl-6-hydroxy-4-methyl-2-oxopyridin-3-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

428.1696 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17688 198.2
[M+Na]+ 451.15882 206.6
[M-H]- 427.16232 203.3
[M+NH4]+ 446.20342 205.6
[M+K]+ 467.13276 204.3
[M+H-H2O]+ 411.16686 181.2
[M+HCOO]- 473.16780 218.6
[M+CH3COO]- 487.18345 243.2
[M+Na-2H]- 449.14427 198.3
[M]+ 428.16905 201.6
[M]- 428.17015 201.6
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