CID 209175

2-((2-(dimethylamino)ethyl)(3-fluoro-4-propoxybenzyl)amino)pyridine hydrochloride

Structural Information

Molecular Formula
C19H26FN3O
SMILES
CCCOC1=C(C=C(C=C1)CN(CCN(C)C)C2=CC=CC=N2)F
InChI
InChI=1S/C19H26FN3O/c1-4-13-24-18-9-8-16(14-17(18)20)15-23(12-11-22(2)3)19-7-5-6-10-21-19/h5-10,14H,4,11-13,15H2,1-3H3
InChIKey
ZNQGJKRSPLKFGC-UHFFFAOYSA-N
Compound name
N'-[(3-fluoro-4-propoxyphenyl)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

331.206 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21328 181.7
[M+Na]+ 354.19522 186.4
[M-H]- 330.19872 187.6
[M+NH4]+ 349.23982 194.7
[M+K]+ 370.16916 183.9
[M+H-H2O]+ 314.20326 170.3
[M+HCOO]- 376.20420 205.2
[M+CH3COO]- 390.21985 223.1
[M+Na-2H]- 352.18067 184.3
[M]+ 331.20545 185.2
[M]- 331.20655 185.2
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.