CID 24212526

853311-47-4

Structural Information

Molecular Formula
C20H17Cl2NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H17Cl2NO2/c1-13-2-7-16(12-18(13)22)23-20(24)11-9-17-8-10-19(25-17)14-3-5-15(21)6-4-14/h2-8,10,12H,9,11H2,1H3,(H,23,24)
InChIKey
AGURUZLDWWIWFK-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3-[5-(4-chlorophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.06363 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.07091 187.9
[M+Na]+ 396.05285 204.2
[M+NH4]+ 391.09745 196.6
[M+K]+ 412.02679 196.2
[M-H]- 372.05635 195.7
[M+Na-2H]- 394.03830 196.8
[M]+ 373.06308 193.3
[M]- 373.06418 193.3
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.