CID 4617223

2-(2-(2,4-dimethylanilino)ethyl)pyridine

Structural Information

Molecular Formula
C15H18N2
SMILES
CC1=CC(=C(C=C1)NCCC2=CC=CC=N2)C
InChI
InChI=1S/C15H18N2/c1-12-6-7-15(13(2)11-12)17-10-8-14-5-3-4-9-16-14/h3-7,9,11,17H,8,10H2,1-2H3
InChIKey
XPHASOHZPUEOEG-UHFFFAOYSA-N
Compound name
2,4-dimethyl-N-(2-pyridin-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 152.6
[M+Na]+ 249.13622 159.9
[M-H]- 225.13972 157.9
[M+NH4]+ 244.18082 169.3
[M+K]+ 265.11016 155.4
[M+H-H2O]+ 209.14426 144.2
[M+HCOO]- 271.14520 176.4
[M+CH3COO]- 285.16085 194.8
[M+Na-2H]- 247.12167 159.2
[M]+ 226.14645 152.6
[M]- 226.14755 152.6
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.