CID 45051459

853356-05-5

Structural Information

Molecular Formula
C20H16ClNO2
SMILES
C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H16ClNO2/c21-18-9-5-4-8-17(18)19-12-10-16(24-19)11-13-20(23)22-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)/b13-11+
InChIKey
YQDMRCDQPQYMFT-ACCUITESSA-N
Compound name
(E)-N-benzyl-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.08694 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09422 180.7
[M+Na]+ 360.07616 195.9
[M+NH4]+ 355.12076 189.1
[M+K]+ 376.05010 188.3
[M-H]- 336.07966 188.5
[M+Na-2H]- 358.06161 190.2
[M]+ 337.08639 185.5
[M]- 337.08749 185.5
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.