CID 130320

93245-29-5

Structural Information

Molecular Formula
C17H20F3N3O2
SMILES
CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)C(=O)C(F)(F)F)OC
InChI
InChI=1S/C17H20F3N3O2/c1-10(5-3-7-21)23-12-9-13(25-2)14(16(24)17(18,19)20)11-6-4-8-22-15(11)12/h4,6,8-10,23H,3,5,7,21H2,1-2H3
InChIKey
LGDVQVMXSNNSGI-UHFFFAOYSA-N
Compound name
1-[8-(5-aminopentan-2-ylamino)-6-methoxyquinolin-5-yl]-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

355.15076 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15804 182.4
[M+Na]+ 378.13998 188.9
[M-H]- 354.14348 180.9
[M+NH4]+ 373.18458 194.2
[M+K]+ 394.11392 184.6
[M+H-H2O]+ 338.14802 171.8
[M+HCOO]- 400.14896 197.9
[M+CH3COO]- 414.16461 221.2
[M+Na-2H]- 376.12543 183.9
[M]+ 355.15021 180.0
[M]- 355.15131 180.0
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.