CID 209177

2-((4-butoxy-3-fluorobenzyl)(2-(dimethylamino)ethyl)amino)pyridine hydrochloride

Structural Information

Molecular Formula
C20H28FN3O
SMILES
CCCCOC1=C(C=C(C=C1)CN(CCN(C)C)C2=CC=CC=N2)F
InChI
InChI=1S/C20H28FN3O/c1-4-5-14-25-19-10-9-17(15-18(19)21)16-24(13-12-23(2)3)20-8-6-7-11-22-20/h6-11,15H,4-5,12-14,16H2,1-3H3
InChIKey
NRNLOKUEFANSIO-UHFFFAOYSA-N
Compound name
N'-[(4-butoxy-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

345.22165 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22893 186.3
[M+Na]+ 368.21087 190.6
[M-H]- 344.21437 192.0
[M+NH4]+ 363.25547 198.7
[M+K]+ 384.18481 187.8
[M+H-H2O]+ 328.21891 174.6
[M+HCOO]- 390.21985 209.4
[M+CH3COO]- 404.23550 226.1
[M+Na-2H]- 366.19632 188.4
[M]+ 345.22110 190.1
[M]- 345.22220 190.1
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.