CID 18425703

(2e)-n-[4-(piperidin-4-yl)butyl]-3-(pyridin-3-yl)prop-2-enamide dihydrochloride

Structural Information

Molecular Formula
C17H25N3O
SMILES
C1CNCCC1CCCCNC(=O)/C=C/C2=CN=CC=C2
InChI
InChI=1S/C17H25N3O/c21-17(7-6-16-5-3-10-19-14-16)20-11-2-1-4-15-8-12-18-13-9-15/h3,5-7,10,14-15,18H,1-2,4,8-9,11-13H2,(H,20,21)/b7-6+
InChIKey
NXXYBKAKQHKOKL-VOTSOKGWSA-N
Compound name
(E)-N-(4-piperidin-4-ylbutyl)-3-pyridin-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

287.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 173.1
[M+Na]+ 310.18899 182.6
[M+NH4]+ 305.23359 179.2
[M+K]+ 326.16293 175.1
[M-H]- 286.19249 175.2
[M+Na-2H]- 308.17444 178.4
[M]+ 287.19922 174.6
[M]- 287.20032 174.6
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

patents stripe