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 172.4
[M+Na]+ 293.06452 181.9
[M-H]- 269.06802 175.3
[M+NH4]+ 288.10912 181.2
[M+K]+ 309.03846 175.3
[M+H-H2O]+ 253.07256 158.5
[M+HCOO]- 315.07350 182.9
[M+CH3COO]- 329.08915 220.4
[M+Na-2H]- 291.04997 172.5
[M]+ 270.07475 162.9
[M]- 270.07585 162.9
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.