CID 9839132

Lg-121071

Structural Information

Molecular Formula
C15H15F3N2O
SMILES
CCC1CCNC2=C1C=C3C(=CC(=O)NC3=C2)C(F)(F)F
InChI
InChI=1S/C15H15F3N2O/c1-2-8-3-4-19-12-7-13-10(5-9(8)12)11(15(16,17)18)6-14(21)20-13/h5-8,19H,2-4H2,1H3,(H,20,21)
InChIKey
SZPPQFARTYXRKU-UHFFFAOYSA-N
Compound name
6-ethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

88
Patents

296.11365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12093 167.8
[M+Na]+ 319.10287 177.1
[M-H]- 295.10637 163.9
[M+NH4]+ 314.14747 181.6
[M+K]+ 335.07681 169.5
[M+H-H2O]+ 279.11091 157.8
[M+HCOO]- 341.11185 176.8
[M+CH3COO]- 355.12750 199.5
[M+Na-2H]- 317.08832 172.0
[M]+ 296.11310 160.2
[M]- 296.11420 160.2
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