CID 45051027

853348-25-1

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H16ClNO3/c1-24-16-6-4-5-14(13-16)22-20(23)12-10-15-9-11-19(25-15)17-7-2-3-8-18(17)21/h2-13H,1H3,(H,22,23)/b12-10+
InChIKey
KEPMIMGJTVXRAZ-ZRDIBKRKSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08188 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08916 184.5
[M+Na]+ 376.07110 192.7
[M-H]- 352.07460 195.2
[M+NH4]+ 371.11570 198.3
[M+K]+ 392.04504 187.3
[M+H-H2O]+ 336.07914 176.6
[M+HCOO]- 398.08008 204.5
[M+CH3COO]- 412.09573 212.0
[M+Na-2H]- 374.05655 186.2
[M]+ 353.08133 189.4
[M]- 353.08243 189.4
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.