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]+ 251.05818 154.6
[M+Na]+ 273.04012 162.8
[M-H]- 249.04362 160.6
[M+NH4]+ 268.08472 171.2
[M+K]+ 289.01406 159.4
[M+H-H2O]+ 233.04816 147.2
[M+HCOO]- 295.04910 174.1
[M+CH3COO]- 309.06475 191.7
[M+Na-2H]- 271.02557 159.8
[M]+ 250.05035 158.0
[M]- 250.05145 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.