CID 24212566

853312-71-7

Structural Information

Molecular Formula
C21H20ClNO2
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C21H20ClNO2/c1-14-6-9-19(15(2)12-14)23-21(24)11-8-18-7-10-20(25-18)16-4-3-5-17(22)13-16/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,24)
InChIKey
DIXSBKLYNHJOOB-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(2,4-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 187.0
[M+Na]+ 376.10748 195.5
[M-H]- 352.11098 197.8
[M+NH4]+ 371.15208 201.2
[M+K]+ 392.08142 189.8
[M+H-H2O]+ 336.11552 179.2
[M+HCOO]- 398.11646 206.2
[M+CH3COO]- 412.13211 215.4
[M+Na-2H]- 374.09293 187.4
[M]+ 353.11771 192.0
[M]- 353.11881 192.0
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.