CID 1297704

618402-89-4

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H18ClNO3/c1-24-15-8-6-14(7-9-15)12-13-22-20(23)19-11-10-18(25-19)16-4-2-3-5-17(16)21/h2-11H,12-13H2,1H3,(H,22,23)
InChIKey
OLDFDTHJHSTXMH-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.09753 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10481 185.0
[M+Na]+ 378.08675 192.8
[M-H]- 354.09025 195.6
[M+NH4]+ 373.13135 198.7
[M+K]+ 394.06069 188.0
[M+H-H2O]+ 338.09479 176.9
[M+HCOO]- 400.09573 204.7
[M+CH3COO]- 414.11138 213.3
[M+Na-2H]- 376.07220 186.7
[M]+ 355.09698 190.6
[M]- 355.09808 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.