CID 205797

18617-57-7

Structural Information

Molecular Formula
C16H26N2O3
SMILES
CCN(CC)CCOC1=NC(=C(C(=C1)C)C(=O)OCC)C
InChI
InChI=1S/C16H26N2O3/c1-6-18(7-2)9-10-21-14-11-12(4)15(13(5)17-14)16(19)20-8-3/h11H,6-10H2,1-5H3
InChIKey
JZSQKBFTMGAWNM-UHFFFAOYSA-N
Compound name
ethyl 6-[2-(diethylamino)ethoxy]-2,4-dimethylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.201616 171.8
[M+Na]+ 317.183558 178.2
[M-H]- 293.187064 175.3
[M+NH4]+ 312.228163 186.9
[M+K]+ 333.157498 177.4
[M+H-H2O]+ 277.191600 163.6
[M+HCOO]- 339.192541 194.1
[M+CH3COO]- 353.208191 212.3
[M+Na-2H]- 315.169006 172.6
[M]+ 294.19379142 179.4
[M]- 294.19488858 179.4
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.