CID 62197045

[2-(2,4-difluorophenyl)-1-(pyridin-4-yl)ethyl](methyl)amine

Structural Information

Molecular Formula
C14H14F2N2
SMILES
CNC(CC1=C(C=C(C=C1)F)F)C2=CC=NC=C2
InChI
InChI=1S/C14H14F2N2/c1-17-14(10-4-6-18-7-5-10)8-11-2-3-12(15)9-13(11)16/h2-7,9,14,17H,8H2,1H3
InChIKey
DPTXVAXKLWIORF-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-N-methyl-1-pyridin-4-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11978 154.1
[M+Na]+ 271.10172 161.6
[M-H]- 247.10522 156.8
[M+NH4]+ 266.14632 169.6
[M+K]+ 287.07566 156.9
[M+H-H2O]+ 231.10976 143.9
[M+HCOO]- 293.11070 175.0
[M+CH3COO]- 307.12635 198.0
[M+Na-2H]- 269.08717 158.8
[M]+ 248.11195 151.0
[M]- 248.11305 151.0
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.