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 186.1
[M+Na]+ 372.08740 198.8
[M-H]- 348.09090 190.6
[M+NH4]+ 367.13200 194.5
[M+K]+ 388.06134 190.0
[M+H-H2O]+ 332.09544 169.4
[M+HCOO]- 394.09638 192.7
[M+CH3COO]- 408.11203 192.0
[M+Na-2H]- 370.07285 183.0
[M]+ 349.09763 179.6
[M]- 349.09873 179.6
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.