CID 16957426

853311-43-0

Structural Information

Molecular Formula
C19H16ClNO2
SMILES
C1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h1-10,12H,11,13H2,(H,21,22)
InChIKey
DDPMADPAAZCSOY-UHFFFAOYSA-N
Compound name
3-[5-(4-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 177.4
[M+Na]+ 348.07616 185.0
[M-H]- 324.07966 187.8
[M+NH4]+ 343.12076 192.1
[M+K]+ 364.05010 179.6
[M+H-H2O]+ 308.08420 169.6
[M+HCOO]- 370.08514 197.3
[M+CH3COO]- 384.10079 189.1
[M+Na-2H]- 346.06161 180.3
[M]+ 325.08639 180.9
[M]- 325.08749 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.