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]+ 326.09422 176.9
[M+Na]+ 348.07616 192.2
[M+NH4]+ 343.12076 185.7
[M+K]+ 364.05010 184.9
[M-H]- 324.07966 184.9
[M+Na-2H]- 346.06161 186.7
[M]+ 325.08639 181.8
[M]- 325.08749 181.8
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.