CID 24212603

853314-26-8

Structural Information

Molecular Formula
C20H16ClN3O2
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl)C#N
InChI
InChI=1S/C20H16ClN3O2/c1-11-14(9-22)20(15(10-23)12(2)24-11)19-7-6-17(26-19)13-4-5-18(25-3)16(21)8-13/h4-8,20,24H,1-3H3
InChIKey
UUHSNINOXAYULN-UHFFFAOYSA-N
Compound name
4-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0931 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10038 194.2
[M+Na]+ 388.08232 205.0
[M+NH4]+ 383.12692 194.5
[M+K]+ 404.05626 194.6
[M-H]- 364.08582 186.9
[M+Na-2H]- 386.06777 193.9
[M]+ 365.09255 192.7
[M]- 365.09365 192.7
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.