CID 577294

61171-07-1

Structural Information

Molecular Formula

C₁₆H₁₉N

SMILES

CC1=CC(=C(C=C1)CC2=C(C=NC(=C2)C)C)C

InChI

InChI=1S/C16H19N/c1-11-5-6-15(12(2)7-11)9-16-8-14(4)17-10-13(16)3/h5-8,10H,9H2,1-4H3

InChIKey

UXLQVMDEZHZLBO-UHFFFAOYSA-N

Compound name

4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 225.15175 Da
Monoisotopic Mass: 4.3
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]+	226.15903	151.9
[M+Na]+	248.14097	161.6
[M-H]-	224.14447	158.0
[M+NH4]+	243.18557	169.7
[M+K]+	264.11491	157.1
[M+H-H2O]+	208.14901	144.3
[M+HCOO]-	270.14995	174.4
[M+CH3COO]-	284.16560	195.3
[M+Na-2H]-	246.12642	156.2
[M]+	225.15120	153.8
[M]-	225.15230	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.