CID 2382936

2-chloro-n-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

Structural Information

Molecular Formula
C21H17ClN2O4
SMILES
COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC(=O)CCl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H17ClN2O4/c1-26-15-7-3-13(4-8-15)19-17(12-23)21(24-18(25)11-22)28-20(19)14-5-9-16(27-2)10-6-14/h3-10H,11H2,1-2H3,(H,24,25)
InChIKey
QHRBLPZVDAWMNS-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

396.08768 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.094956 197.5
[M+Na]+ 419.076898 208.9
[M-H]- 395.080404 206.1
[M+NH4]+ 414.121503 208.3
[M+K]+ 435.050838 202.3
[M+H-H2O]+ 379.084940 182.8
[M+HCOO]- 441.085881 213.4
[M+CH3COO]- 455.101531 230.0
[M+Na-2H]- 417.062346 196.8
[M]+ 396.08713142 199.3
[M]- 396.08822858 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.