CID 215941

36853-15-3

Structural Information

Molecular Formula
C17H28N2O4
SMILES
CCN(CC)CC(COC1=NC(=C(C(=C1)C)C(=O)OCC)C)O
InChI
InChI=1S/C17H28N2O4/c1-6-19(7-2)10-14(20)11-23-15-9-12(4)16(13(5)18-15)17(21)22-8-3/h9,14,20H,6-8,10-11H2,1-5H3
InChIKey
WUWPMNXFQYGPBW-UHFFFAOYSA-N
Compound name
ethyl 6-[3-(diethylamino)-2-hydroxypropoxy]-2,4-dimethylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.2049 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 179.6
[M+Na]+ 347.19412 184.7
[M-H]- 323.19762 181.5
[M+NH4]+ 342.23872 192.5
[M+K]+ 363.16806 184.0
[M+H-H2O]+ 307.20216 171.4
[M+HCOO]- 369.20310 199.3
[M+CH3COO]- 383.21875 215.7
[M+Na-2H]- 345.17957 178.3
[M]+ 324.20435 186.4
[M]- 324.20545 186.4
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.