CID 11560224

Lgd-2226

Structural Information

Molecular Formula
C14H9F9N2O
SMILES
C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F
InChI
InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
InChIKey
ULBPQWIGZUGPHU-UHFFFAOYSA-N
Compound name
6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

121
Patents

392.05713 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06441 181.4
[M+Na]+ 415.04635 191.9
[M-H]- 391.04985 173.9
[M+NH4]+ 410.09095 192.3
[M+K]+ 431.02029 185.7
[M+H-H2O]+ 375.05439 167.3
[M+HCOO]- 437.05533 188.5
[M+CH3COO]- 451.07098 221.4
[M+Na-2H]- 413.03180 184.2
[M]+ 392.05658 169.8
[M]- 392.05768 169.8
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

patents stripe