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 189.9
[M+Na]+ 396.05285 199.2
[M-H]- 372.05635 199.9
[M+NH4]+ 391.09745 203.7
[M+K]+ 412.02679 192.5
[M+H-H2O]+ 356.06089 182.7
[M+HCOO]- 418.06183 204.1
[M+CH3COO]- 432.07748 200.9
[M+Na-2H]- 394.03830 189.9
[M]+ 373.06308 195.9
[M]- 373.06418 195.9
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.