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]+ 281.18596 168.3
[M+Na]+ 303.16790 173.0
[M-H]- 279.17140 171.3
[M+NH4]+ 298.21250 183.3
[M+K]+ 319.14184 172.9
[M+H-H2O]+ 263.17594 159.9
[M+HCOO]- 325.17688 190.0
[M+CH3COO]- 339.19253 207.7
[M+Na-2H]- 301.15335 169.9
[M]+ 280.17813 174.1
[M]- 280.17923 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.