CID 3052984

Brn 5584359

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CCN(CCOC(=O)C1=CN=CC=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C16H17N3O3/c1-2-19(15(20)13-5-3-7-17-11-13)9-10-22-16(21)14-6-4-8-18-12-14/h3-8,11-12H,2,9-10H2,1H3
InChIKey
BCJCEHTYNRNJQW-UHFFFAOYSA-N
Compound name
2-[ethyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.5
[M+Na]+ 322.11620 180.4
[M+NH4]+ 317.16080 174.3
[M+K]+ 338.09014 174.8
[M-H]- 298.11970 170.9
[M+Na-2H]- 320.10165 176.5
[M]+ 299.12643 170.6
[M]- 299.12753 170.6
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.