CID 13222023

89054-86-4

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CCCCN(CCOC(=O)C1=CN=CC=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C18H21N3O3/c1-2-3-10-21(17(22)15-6-4-8-19-13-15)11-12-24-18(23)16-7-5-9-20-14-16/h4-9,13-14H,2-3,10-12H2,1H3
InChIKey
LHUSTIQMHNELFV-UHFFFAOYSA-N
Compound name
2-[butyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 178.3
[M+Na]+ 350.14752 182.2
[M-H]- 326.15102 182.6
[M+NH4]+ 345.19212 188.9
[M+K]+ 366.12146 179.8
[M+H-H2O]+ 310.15556 167.4
[M+HCOO]- 372.15650 199.2
[M+CH3COO]- 386.17215 212.4
[M+Na-2H]- 348.13297 181.9
[M]+ 327.15775 181.6
[M]- 327.15885 181.6
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.