CID 24212553

853312-43-3

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
C1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H16ClNO2/c20-15-6-4-5-14(13-15)18-11-9-17(23-18)10-12-19(22)21-16-7-2-1-3-8-16/h1-9,11,13H,10,12H2,(H,21,22)
InChIKey
MGAAOQMCQNSBOO-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.08694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.094216 177.4
[M+Na]+ 348.076158 185.0
[M-H]- 324.079664 187.8
[M+NH4]+ 343.120763 192.1
[M+K]+ 364.050098 179.6
[M+H-H2O]+ 308.084200 169.6
[M+HCOO]- 370.085141 197.3
[M+CH3COO]- 384.100791 189.1
[M+Na-2H]- 346.061606 180.3
[M]+ 325.08639142 180.9
[M]- 325.08748858 180.9
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.