CID 24212557

853312-53-5

Structural Information

Molecular Formula
C20H18ClNO3
SMILES
COC1=CC=CC(=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H18ClNO3/c1-24-18-7-3-6-16(13-18)22-20(23)11-9-17-8-10-19(25-17)14-4-2-5-15(21)12-14/h2-8,10,12-13H,9,11H2,1H3,(H,22,23)
InChIKey
OVIXYGWJFTWHNW-UHFFFAOYSA-N
Compound name
3-[5-(3-chlorophenyl)furan-2-yl]-N-(3-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.09753 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10481 184.1
[M+Na]+ 378.08675 199.1
[M+NH4]+ 373.13135 192.2
[M+K]+ 394.06069 192.3
[M-H]- 354.09025 191.7
[M+Na-2H]- 376.07220 193.1
[M]+ 355.09698 188.8
[M]- 355.09808 188.8
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.