CID 45051444

3-(5-(2-chlorophenyl)-2-furyl)-n-(2,4-dichlorophenyl)-2-propenamide

Structural Information

Molecular Formula
C19H12Cl3NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)NC3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H12Cl3NO2/c20-12-5-8-17(16(22)11-12)23-19(24)10-7-13-6-9-18(25-13)14-3-1-2-4-15(14)21/h1-11H,(H,23,24)/b10-7+
InChIKey
MSNDRYQVXQNZIM-JXMROGBWSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.99335 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.00063 192.0
[M+Na]+ 413.98257 201.9
[M-H]- 389.98607 200.7
[M+NH4]+ 409.02717 205.1
[M+K]+ 429.95651 194.3
[M+H-H2O]+ 373.99061 185.4
[M+HCOO]- 435.99155 201.1
[M+CH3COO]- 450.00720 202.1
[M+Na-2H]- 411.96802 191.2
[M]+ 390.99280 197.3
[M]- 390.99390 197.3
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.