CID 660897

Brn 5440409

Structural Information

Molecular Formula

C₁₆H₁₈N₄

SMILES

CC1=CC(=C(C(=N1)NCC2=CC=CC=C2)C#N)N(C)C

InChI

InChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19)

InChIKey

NKIDELMZCLMHBH-UHFFFAOYSA-N

Compound name

2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 0
Patents: 266.15314 Da
Monoisotopic Mass: 3.5
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]+	267.160416	165.9
[M+Na]+	289.142358	174.6
[M-H]-	265.145864	170.9
[M+NH4]+	284.186963	179.3
[M+K]+	305.116298	170.1
[M+H-H2O]+	249.150400	150.3
[M+HCOO]-	311.151341	186.5
[M+CH3COO]-	325.166991	217.9
[M+Na-2H]-	287.127806	169.8
[M]+	266.15259142	161.4
[M]-	266.15368858	161.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.