CID 204774

Pyridine, 2-((2-(dimethylamino)ethyl)(3-fluoro-4-methoxybenzyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C17H22FN3O
SMILES
CN(C)CCN(CC1=CC(=C(C=C1)OC)F)C2=CC=CC=N2
InChI
InChI=1S/C17H22FN3O/c1-20(2)10-11-21(17-6-4-5-9-19-17)13-14-7-8-16(22-3)15(18)12-14/h4-9,12H,10-11,13H2,1-3H3
InChIKey
FVOJXNPGVDLHLE-UHFFFAOYSA-N
Compound name
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.17468 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18196 172.5
[M+Na]+ 326.16390 178.1
[M-H]- 302.16740 178.8
[M+NH4]+ 321.20850 186.7
[M+K]+ 342.13784 176.0
[M+H-H2O]+ 286.17194 161.5
[M+HCOO]- 348.17288 196.6
[M+CH3COO]- 362.18853 217.2
[M+Na-2H]- 324.14935 176.2
[M]+ 303.17413 175.3
[M]- 303.17523 175.3
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.