CID 5865780

391218-08-9

Structural Information

Molecular Formula
C20H17NO2
SMILES
CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C20H17NO2/c1-15-7-9-17(10-8-15)21-20(22)14-12-18-11-13-19(23-18)16-5-3-2-4-6-16/h2-14H,1H3,(H,21,22)/b14-12+
InChIKey
NRCCJTCOSQFWPX-WYMLVPIESA-N
Compound name
(E)-N-(4-methylphenyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 172.7
[M+Na]+ 326.11514 179.4
[M-H]- 302.11864 183.3
[M+NH4]+ 321.15974 187.5
[M+K]+ 342.08908 175.1
[M+H-H2O]+ 286.12318 164.4
[M+HCOO]- 348.12412 197.2
[M+CH3COO]- 362.13977 205.0
[M+Na-2H]- 324.10059 175.8
[M]+ 303.12537 173.4
[M]- 303.12647 173.4
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.