CID 1224264

2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C13H10N4O3
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(O2)[N+](=O)[O-])C#N
InChI
InChI=1S/C13H10N4O3/c1-7-9(5-14)13(10(6-15)8(2)16-7)11-3-4-12(20-11)17(18)19/h3-4,13,16H,1-2H3
InChIKey
RZWKOYDPVXNFOU-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 179.1
[M+Na]+ 293.06452 188.0
[M+NH4]+ 288.10912 178.7
[M+K]+ 309.03846 180.9
[M-H]- 269.06802 170.7
[M+Na-2H]- 291.04997 177.2
[M]+ 270.07475 176.6
[M]- 270.07585 176.6
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.