CID 45051036

853348-28-4

Structural Information

Molecular Formula
C20H16ClNO2
SMILES
CC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H16ClNO2/c1-14-6-2-5-9-18(14)22-20(23)13-11-15-10-12-19(24-15)16-7-3-4-8-17(16)21/h2-13H,1H3,(H,22,23)/b13-11+
InChIKey
NDGIKEYIJKAFEF-ACCUITESSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-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 181.8
[M+Na]+ 360.07616 190.2
[M-H]- 336.07966 192.5
[M+NH4]+ 355.12076 196.3
[M+K]+ 376.05010 184.1
[M+H-H2O]+ 320.08420 174.1
[M+HCOO]- 382.08514 201.5
[M+CH3COO]- 396.10079 193.5
[M+Na-2H]- 358.06161 183.4
[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.