CID 174120

Fadae

Structural Information

Molecular Formula
C16H27N3O
SMILES
CCCCC1=CN=C(C=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C16H27N3O/c1-4-7-8-14-9-10-15(18-13-14)16(20)17-11-12-19(5-2)6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,17,20)
InChIKey
ACBTXRCJPKLVJR-UHFFFAOYSA-N
Compound name
5-butyl-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

277.21542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 170.3
[M+Na]+ 300.20464 179.8
[M+NH4]+ 295.24924 176.7
[M+K]+ 316.17858 173.0
[M-H]- 276.20814 172.4
[M+Na-2H]- 298.19009 175.2
[M]+ 277.21487 172.0
[M]- 277.21597 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.