CID 224869

Diethyl(4-{[7-(trifluoromethyl)(4-quinolyl)]amino}pentyl)amine

Structural Information

Molecular Formula
C19H26F3N3
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)C(F)(F)F
InChI
InChI=1S/C19H26F3N3/c1-4-25(5-2)12-6-7-14(3)24-17-10-11-23-18-13-15(19(20,21)22)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,24)
InChIKey
HIWSRDNBRUFDDW-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-[7-(trifluoromethyl)quinolin-4-yl]pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

353.2079 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21518 186.4
[M+Na]+ 376.19712 191.5
[M-H]- 352.20062 186.0
[M+NH4]+ 371.24172 199.2
[M+K]+ 392.17106 187.1
[M+H-H2O]+ 336.20516 175.0
[M+HCOO]- 398.20610 202.7
[M+CH3COO]- 412.22175 225.5
[M+Na-2H]- 374.18257 188.7
[M]+ 353.20735 185.0
[M]- 353.20845 185.0
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.