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 181.7
[M+Na]+ 360.07616 189.2
[M-H]- 336.07966 191.9
[M+NH4]+ 355.12076 195.9
[M+K]+ 376.05010 183.0
[M+H-H2O]+ 320.08420 173.7
[M+HCOO]- 382.08514 201.4
[M+CH3COO]- 396.10079 193.0
[M+Na-2H]- 358.06161 184.0
[M]+ 337.08639 184.8
[M]- 337.08749 184.8
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.