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 194.3
[M+Na]+ 406.11802 201.2
[M-H]- 382.12152 204.5
[M+NH4]+ 401.16262 206.8
[M+K]+ 422.09196 195.9
[M+H-H2O]+ 366.12606 185.8
[M+HCOO]- 428.12700 213.3
[M+CH3COO]- 442.14265 219.2
[M+Na-2H]- 404.10347 194.9
[M]+ 383.12825 200.6
[M]- 383.12935 200.6
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.