CID 481020

Chembl341111

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCC1=C(N=C(C(=C1C(C)(C2=CC(=CC(=C2)C)C)OC(=O)C)NC(=O)C)OC)C
InChI
InChI=1S/C23H30N2O4/c1-9-19-15(4)24-22(28-8)21(25-16(5)26)20(19)23(7,29-17(6)27)18-11-13(2)10-14(3)12-18/h10-12H,9H2,1-8H3,(H,25,26)
InChIKey
YTPLGXFXVHNNIL-UHFFFAOYSA-N
Compound name
[1-(3-acetamido-5-ethyl-2-methoxy-6-methylpyridin-4-yl)-1-(3,5-dimethylphenyl)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 197.9
[M+Na]+ 421.20977 205.2
[M-H]- 397.21327 204.0
[M+NH4]+ 416.25437 208.3
[M+K]+ 437.18371 202.5
[M+H-H2O]+ 381.21781 189.2
[M+HCOO]- 443.21875 216.4
[M+CH3COO]- 457.23440 231.4
[M+Na-2H]- 419.19522 196.4
[M]+ 398.22000 204.8
[M]- 398.22110 204.8
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.