CID 60656358

4-chloro-n-[2-(furan-2-yl)ethyl]pyridine-2-carboxamide

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
C1=COC(=C1)CCNC(=O)C2=NC=CC(=C2)Cl
InChI
InChI=1S/C12H11ClN2O2/c13-9-3-5-14-11(8-9)12(16)15-6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,15,16)
InChIKey
ZAYKNMJDYMNKEA-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(furan-2-yl)ethyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 154.6
[M+Na]+ 273.040118 162.8
[M-H]- 249.043624 160.6
[M+NH4]+ 268.084723 171.2
[M+K]+ 289.014058 159.4
[M+H-H2O]+ 233.048160 147.2
[M+HCOO]- 295.049101 174.1
[M+CH3COO]- 309.064751 191.7
[M+Na-2H]- 271.025566 159.8
[M]+ 250.05035142 158.0
[M]- 250.05144858 158.0
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

No patent data available for this compound.