CID 481007

Chembl436195

Structural Information

Molecular Formula
C25H34N2O4
SMILES
CCC1=C(N=C(C(=C1C(C2=CC(=CC(=C2)C)C)OC(=O)C)NC(=O)C(C)(C)C)OC)C
InChI
InChI=1S/C25H34N2O4/c1-10-19-16(4)26-23(30-9)21(27-24(29)25(6,7)8)20(19)22(31-17(5)28)18-12-14(2)11-15(3)13-18/h11-13,22H,10H2,1-9H3,(H,27,29)
InChIKey
NILMGJQQKLECIG-UHFFFAOYSA-N
Compound name
[(3,5-dimethylphenyl)-[3-(2,2-dimethylpropanoylamino)-5-ethyl-2-methoxy-6-methylpyridin-4-yl]methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

426.25186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.25914 205.9
[M+Na]+ 449.24108 212.1
[M-H]- 425.24458 211.7
[M+NH4]+ 444.28568 215.1
[M+K]+ 465.21502 209.7
[M+H-H2O]+ 409.24912 197.1
[M+HCOO]- 471.25006 222.8
[M+CH3COO]- 485.26571 237.5
[M+Na-2H]- 447.22653 202.4
[M]+ 426.25131 212.8
[M]- 426.25241 212.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.