CID 45051046

3-(5-(2-chlorophenyl)-2-furyl)-n-(2,6-dimethylphenyl)-2-propenamide

Structural Information

Molecular Formula
C21H18ClNO2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H18ClNO2/c1-14-6-5-7-15(2)21(14)23-20(24)13-11-16-10-12-19(25-16)17-8-3-4-9-18(17)22/h3-13H,1-2H3,(H,23,24)/b13-11+
InChIKey
HDTMKTOYNFPPQC-ACCUITESSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2,6-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1026 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.10988 186.5
[M+Na]+ 374.09182 195.3
[M-H]- 350.09532 197.3
[M+NH4]+ 369.13642 200.7
[M+K]+ 390.06576 189.0
[M+H-H2O]+ 334.09986 178.7
[M+HCOO]- 396.10080 205.8
[M+CH3COO]- 410.11645 214.0
[M+Na-2H]- 372.07727 186.8
[M]+ 351.10205 190.7
[M]- 351.10315 190.7
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.