CID 24212558

853312-55-7

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H20ClNO2/c1-14-5-3-6-15(2)21(14)23-20(24)12-10-18-9-11-19(25-18)16-7-4-8-17(22)13-16/h3-9,11,13H,10,12H2,1-2H3,(H,23,24)
InChIKey
ANWNOYNWMSOTCU-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(2,6-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.11826 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12554 185.7
[M+Na]+ 376.10748 201.4
[M+NH4]+ 371.15208 194.2
[M+K]+ 392.08142 194.0
[M-H]- 352.11098 193.9
[M+Na-2H]- 374.09293 194.6
[M]+ 353.11771 190.8
[M]- 353.11881 190.8
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.