CID 717710

1,2-dihydro-4,6-dimethyl-2-oxo-1-(vanillylideneamino)nicotinonitrile

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=CC(=C(C(=O)N1N=CC2=CC(=C(C=C2)O)OC)C#N)C
InChI
InChI=1S/C16H15N3O3/c1-10-6-11(2)19(16(21)13(10)8-17)18-9-12-4-5-14(20)15(7-12)22-3/h4-7,9,20H,1-3H3
InChIKey
OMRUPTLOCOJMDC-UHFFFAOYSA-N
Compound name
1-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 168.1
[M+Na]+ 320.10055 181.7
[M+NH4]+ 315.14515 171.0
[M+K]+ 336.07449 172.0
[M-H]- 296.10405 164.0
[M+Na-2H]- 318.08600 172.3
[M]+ 297.11078 168.0
[M]- 297.11188 168.0
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.