CID 45050997

853347-86-1

Structural Information

Molecular Formula
C19H14ClNO2
SMILES
C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H14ClNO2/c20-17-9-5-4-8-16(17)18-12-10-15(23-18)11-13-19(22)21-14-6-2-1-3-7-14/h1-13H,(H,21,22)/b13-11+
InChIKey
YNEDQMNWAGGLPW-ACCUITESSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07132 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07860 177.1
[M+Na]+ 346.06054 185.0
[M-H]- 322.06404 187.5
[M+NH4]+ 341.10514 191.8
[M+K]+ 362.03448 179.0
[M+H-H2O]+ 306.06858 169.3
[M+HCOO]- 368.06952 197.1
[M+CH3COO]- 382.08517 188.8
[M+Na-2H]- 344.04599 179.9
[M]+ 323.07077 179.8
[M]- 323.07187 179.8
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.