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-methyl-3-pyridinyl]-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]+ 385.248576 197.4
[M+Na]+ 407.230518 204.9
[M-H]- 383.234024 203.4
[M+NH4]+ 402.275123 208.7
[M+K]+ 423.204458 201.5
[M+H-H2O]+ 367.238560 188.6
[M+HCOO]- 429.239501 216.6
[M+CH3COO]- 443.255151 229.1
[M+Na-2H]- 405.215966 196.8
[M]+ 384.24075142 204.2
[M]- 384.24184858 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.