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]+ 242.09241 154.6
[M+Na]+ 264.07435 167.7
[M+NH4]+ 259.11895 158.4
[M+K]+ 280.04829 159.8
[M-H]- 240.07785 151.6
[M+Na-2H]- 262.05980 158.7
[M]+ 241.08458 154.7
[M]- 241.08568 154.7
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.