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

19
Patents

287.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.207046 171.6
[M+Na]+ 310.188988 172.8
[M-H]- 286.192494 171.9
[M+NH4]+ 305.233593 182.6
[M+K]+ 326.162928 167.4
[M+H-H2O]+ 270.197030 161.6
[M+HCOO]- 332.197971 187.1
[M+CH3COO]- 346.213621 199.7
[M+Na-2H]- 308.174436 174.0
[M]+ 287.19922142 165.1
[M]- 287.20031858 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