CID 204776

Pyridine, 2-((2-(dimethylamino)ethyl)(4-ethoxy-3-fluorobenzyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C18H24FN3O
SMILES
CCOC1=C(C=C(C=C1)CN(CCN(C)C)C2=CC=CC=N2)F
InChI
InChI=1S/C18H24FN3O/c1-4-23-17-9-8-15(13-16(17)19)14-22(12-11-21(2)3)18-7-5-6-10-20-18/h5-10,13H,4,11-12,14H2,1-3H3
InChIKey
NYQOAVZZRYPOGA-UHFFFAOYSA-N
Compound name
N'-[(4-ethoxy-3-fluorophenyl)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

317.19034 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19762 176.7
[M+Na]+ 340.17956 188.6
[M+NH4]+ 335.22416 183.8
[M+K]+ 356.15350 181.0
[M-H]- 316.18306 180.9
[M+Na-2H]- 338.16501 185.0
[M]+ 317.18979 179.5
[M]- 317.19089 179.5
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.