CID 24212554

853312-47-7

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H20ClNO3/c1-2-25-18-8-6-17(7-9-18)23-21(24)13-11-19-10-12-20(26-19)15-4-3-5-16(22)14-15/h3-10,12,14H,2,11,13H2,1H3,(H,23,24)
InChIKey
GBTWKKOSEVSMKB-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(4-ethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11316 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 188.8
[M+Na]+ 392.10238 203.5
[M+NH4]+ 387.14698 196.6
[M+K]+ 408.07632 196.5
[M-H]- 368.10588 196.3
[M+Na-2H]- 390.08783 197.4
[M]+ 369.11261 193.4
[M]- 369.11371 193.4
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.