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

28
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 171.6
[M+Na]+ 310.18899 172.8
[M-H]- 286.19249 171.9
[M+NH4]+ 305.23359 182.6
[M+K]+ 326.16293 167.4
[M+H-H2O]+ 270.19703 161.6
[M+HCOO]- 332.19797 187.1
[M+CH3COO]- 346.21362 199.7
[M+Na-2H]- 308.17444 174.0
[M]+ 287.19922 165.1
[M]- 287.20032 165.1
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