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

3
Patents

277.21542 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.222696 171.0
[M+Na]+ 300.204638 174.8
[M-H]- 276.208144 173.6
[M+NH4]+ 295.249243 185.9
[M+K]+ 316.178578 172.8
[M+H-H2O]+ 260.212680 162.2
[M+HCOO]- 322.213621 193.9
[M+CH3COO]- 336.229271 210.8
[M+Na-2H]- 298.190086 173.5
[M]+ 277.21487142 174.1
[M]- 277.21596858 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

patents stripe