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]+ 300.134256 169.2
[M+Na]+ 322.116198 174.0
[M-H]- 298.119704 173.9
[M+NH4]+ 317.160803 181.0
[M+K]+ 338.090138 172.1
[M+H-H2O]+ 282.124240 158.7
[M+HCOO]- 344.125181 190.8
[M+CH3COO]- 358.140831 206.5
[M+Na-2H]- 320.101646 173.9
[M]+ 299.12643142 171.9
[M]- 299.12752858 171.9
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.