CID 3058507

75348-36-6

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCN(CC)CCOC1=NC=C(C=C1)C(=O)OC(C)C
InChI
InChI=1S/C15H24N2O3/c1-5-17(6-2)9-10-19-14-8-7-13(11-16-14)15(18)20-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKey
HLOZVVJSBLFURG-UHFFFAOYSA-N
Compound name
propan-2-yl 6-[2-(diethylamino)ethoxy]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 168.3
[M+Na]+ 303.167898 173.0
[M-H]- 279.171404 171.3
[M+NH4]+ 298.212503 183.3
[M+K]+ 319.141838 172.9
[M+H-H2O]+ 263.175940 159.9
[M+HCOO]- 325.176881 190.0
[M+CH3COO]- 339.192531 207.7
[M+Na-2H]- 301.153346 169.9
[M]+ 280.17813142 174.1
[M]- 280.17922858 174.1
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.