CID 474869

Diethyl{4-[(7-fluoro(4-isoquinolyl))amino]pentyl}amine

Structural Information

Molecular Formula
C18H26FN3
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=CN=C1)F
InChI
InChI=1S/C18H26FN3/c1-4-22(5-2)10-6-7-14(3)21-18-13-20-12-15-11-16(19)8-9-17(15)18/h8-9,11-14,21H,4-7,10H2,1-3H3
InChIKey
BWIPEFYASDFLKS-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(7-fluoroisoquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.2111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.21838 175.2
[M+Na]+ 326.20032 180.1
[M-H]- 302.20382 177.4
[M+NH4]+ 321.24492 190.1
[M+K]+ 342.17426 176.4
[M+H-H2O]+ 286.20836 165.3
[M+HCOO]- 348.20930 195.7
[M+CH3COO]- 362.22495 217.4
[M+Na-2H]- 324.18577 178.6
[M]+ 303.21055 176.4
[M]- 303.21165 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.