CID 480998

Chembl434058

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCC1=CC(=C(N=C1C)OC)NC(=O)C(C)(C)C
InChI
InChI=1S/C14H22N2O2/c1-7-10-8-11(12(18-6)15-9(10)2)16-13(17)14(3,4)5/h8H,7H2,1-6H3,(H,16,17)
InChIKey
YNOHDVUYAXBTFK-UHFFFAOYSA-N
Compound name
N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

250.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 160.1
[M+Na]+ 273.15734 167.9
[M-H]- 249.16084 163.0
[M+NH4]+ 268.20194 176.7
[M+K]+ 289.13128 166.1
[M+H-H2O]+ 233.16538 153.6
[M+HCOO]- 295.16632 180.9
[M+CH3COO]- 309.18197 200.5
[M+Na-2H]- 271.14279 163.6
[M]+ 250.16757 163.8
[M]- 250.16867 163.8
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.