CID 800338

853348-47-7

Structural Information

Molecular Formula
C20H16ClNO2
SMILES
CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H16ClNO2/c1-14-6-8-15(9-7-14)22-20(23)13-11-16-10-12-19(24-16)17-4-2-3-5-18(17)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKey
IUIAHLKQMWIICZ-ACCUITESSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.08694 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09422 180.5
[M+Na]+ 360.07616 196.0
[M+NH4]+ 355.12076 188.9
[M+K]+ 376.05010 188.6
[M-H]- 336.07966 188.3
[M+Na-2H]- 358.06161 189.8
[M]+ 337.08639 185.3
[M]- 337.08749 185.3
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.