CID 45051019

853348-21-7

Structural Information

Molecular Formula
C22H20ClNO2
SMILES
CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C22H20ClNO2/c1-3-16-8-6-7-15(2)22(16)24-21(25)14-12-17-11-13-20(26-17)18-9-4-5-10-19(18)23/h4-14H,3H2,1-2H3,(H,24,25)/b14-12+
InChIKey
WSJYVRXLXQEJBS-WYMLVPIESA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11826 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12554 191.1
[M+Na]+ 388.10748 199.6
[M-H]- 364.11098 201.8
[M+NH4]+ 383.15208 204.8
[M+K]+ 404.08142 193.0
[M+H-H2O]+ 348.11552 183.2
[M+HCOO]- 410.11646 210.1
[M+CH3COO]- 424.13211 217.0
[M+Na-2H]- 386.09293 190.9
[M]+ 365.11771 195.7
[M]- 365.11881 195.7
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.