CID 265000

1,2-dihydro-4,6-dimethyl-1-furfurylideneamino-2-oxonicotinonitrile

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC(=C(C(=O)N1N=CC2=CC=CO2)C#N)C
InChI
InChI=1S/C13H11N3O2/c1-9-6-10(2)16(13(17)12(9)7-14)15-8-11-4-3-5-18-11/h3-6,8H,1-2H3
InChIKey
DWVOZJJPKRMKDG-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethylideneamino)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 153.2
[M+Na]+ 264.074348 165.6
[M-H]- 240.077854 159.7
[M+NH4]+ 259.118953 168.7
[M+K]+ 280.048288 162.2
[M+H-H2O]+ 224.082390 138.6
[M+HCOO]- 286.083331 175.4
[M+CH3COO]- 300.098981 207.4
[M+Na-2H]- 262.059796 157.3
[M]+ 241.08458142 151.9
[M]- 241.08567858 151.9
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.