CID 481001

4-[(3,5-dimethylphenoxy)methyl]-5-ethyl-2-methoxy-6-methyl-3-pivaloyaminopyridine

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC1=C(N=C(C(=C1COC2=CC(=CC(=C2)C)C)NC(=O)C(C)(C)C)OC)C
InChI
InChI=1S/C23H32N2O3/c1-9-18-16(4)24-21(27-8)20(25-22(26)23(5,6)7)19(18)13-28-17-11-14(2)10-15(3)12-17/h10-12H,9,13H2,1-8H3,(H,25,26)
InChIKey
CUWFHWVYTZUNHU-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenoxy)methyl]-5-ethyl-2-methoxy-6-methylpyridin-3-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.2413 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 197.4
[M+Na]+ 407.23052 204.9
[M-H]- 383.23402 203.4
[M+NH4]+ 402.27512 208.7
[M+K]+ 423.20446 201.5
[M+H-H2O]+ 367.23856 188.6
[M+HCOO]- 429.23950 216.6
[M+CH3COO]- 443.25515 229.1
[M+Na-2H]- 405.21597 196.8
[M]+ 384.24075 204.2
[M]- 384.24185 204.2
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.