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]+ 397.09496 191.2
[M+Na]+ 419.07690 204.9
[M+NH4]+ 414.12150 194.6
[M+K]+ 435.05084 196.0
[M-H]- 395.08040 190.1
[M+Na-2H]- 417.06235 195.7
[M]+ 396.08713 192.4
[M]- 396.08823 192.4
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.