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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	298.118606	169.1
[M+Na]+	320.100548	181.1
[M-H]-	296.104054	174.1
[M+NH4]+	315.145153	181.8
[M+K]+	336.074488	176.4
[M+H-H2O]+	280.108590	154.3
[M+HCOO]-	342.109531	189.3
[M+CH3COO]-	356.125181	217.6
[M+Na-2H]-	318.085996	171.4
[M]+	297.11078142	167.7
[M]-	297.11187858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.