CID 9568375

Nsc101488

Structural Information

Molecular Formula

C₁₅H₁₆N₄O

SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C15H16N4O/c1-19(2)14-7-5-12(6-8-14)10-17-18-15(20)13-4-3-9-16-11-13/h3-11H,1-2H3,(H,18,20)/b17-10+

InChIKey

OUIUFGWOJCNQRW-LICLKQGHSA-N

Compound name

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 268.13242 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]+	269.13970	162.0
[M+Na]+	291.12164	167.4
[M-H]-	267.12514	169.9
[M+NH4]+	286.16624	177.0
[M+K]+	307.09558	165.1
[M+H-H2O]+	251.12968	152.1
[M+HCOO]-	313.13062	189.4
[M+CH3COO]-	327.14627	209.5
[M+Na-2H]-	289.10709	168.7
[M]+	268.13187	162.5
[M]-	268.13297	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe