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 171.0
[M+Na]+ 300.20464 174.8
[M-H]- 276.20814 173.6
[M+NH4]+ 295.24924 185.9
[M+K]+ 316.17858 172.8
[M+H-H2O]+ 260.21268 162.2
[M+HCOO]- 322.21362 193.9
[M+CH3COO]- 336.22927 210.8
[M+Na-2H]- 298.19009 173.5
[M]+ 277.21487 174.1
[M]- 277.21597 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

literature stripe

Patent stripe

No patent data available for this compound.