CID 24212549

853312-33-1

Structural Information

Molecular Formula
C22H22ClNO3
SMILES
COC1=CC=C(C=C1)CCNC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H22ClNO3/c1-26-19-8-2-16(3-9-19)14-15-24-22(25)13-11-20-10-12-21(27-20)17-4-6-18(23)7-5-17/h2-10,12H,11,13-15H2,1H3,(H,24,25)
InChIKey
OEQXOFVDCCJSFI-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13608 193.4
[M+Na]+ 406.11802 207.9
[M+NH4]+ 401.16262 201.1
[M+K]+ 422.09196 200.7
[M-H]- 382.12152 200.9
[M+Na-2H]- 404.10347 201.7
[M]+ 383.12825 198.0
[M]- 383.12935 198.0
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.