CID 24212582

853313-38-9

Structural Information

Molecular Formula
C20H16ClN3O
SMILES
CC1=C(C=C(C=C1)C2=CC=C(O2)C3C(=C(NC(=C3C#N)C)C)C#N)Cl
InChI
InChI=1S/C20H16ClN3O/c1-11-4-5-14(8-17(11)21)18-6-7-19(25-18)20-15(9-22)12(2)24-13(3)16(20)10-23/h4-8,20,24H,1-3H3
InChIKey
XBJXJYZOVKBSSG-UHFFFAOYSA-N
Compound name
4-[5-(3-chloro-4-methylphenyl)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

349.09818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10546 192.5
[M+Na]+ 372.08740 203.6
[M+NH4]+ 367.13200 193.1
[M+K]+ 388.06134 192.8
[M-H]- 348.09090 185.5
[M+Na-2H]- 370.07285 192.4
[M]+ 349.09763 191.2
[M]- 349.09873 191.2
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.