CID 268105

1-(benzylideneimino)-2,4-dimethyl-5-cyano-6-pyridone

Structural Information

Molecular Formula
C15H13N3O
SMILES
CC1=CC(=C(C(=O)N1N=CC2=CC=CC=C2)C#N)C
InChI
InChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3
InChIKey
YTODHHLHESCNOI-UHFFFAOYSA-N
Compound name
1-(benzylideneamino)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 159.3
[M+Na]+ 274.09509 170.9
[M-H]- 250.09859 165.0
[M+NH4]+ 269.13969 173.9
[M+K]+ 290.06903 165.5
[M+H-H2O]+ 234.10313 144.2
[M+HCOO]- 296.10407 180.8
[M+CH3COO]- 310.11972 210.9
[M+Na-2H]- 272.08054 163.7
[M]+ 251.10532 156.0
[M]- 251.10642 156.0
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.