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 197.5
[M+Na]+ 419.07690 208.9
[M-H]- 395.08040 206.1
[M+NH4]+ 414.12150 208.3
[M+K]+ 435.05084 202.3
[M+H-H2O]+ 379.08494 182.8
[M+HCOO]- 441.08588 213.4
[M+CH3COO]- 455.10153 230.0
[M+Na-2H]- 417.06235 196.8
[M]+ 396.08713 199.3
[M]- 396.08823 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.