CID 25195253

Lgd-3303

Structural Information

Molecular Formula
C16H14ClF3N2O
SMILES
CCC1=C(C2=C(N1CC(F)(F)F)C=CC3=C2C(=CC(=O)N3)Cl)C
InChI
InChI=1S/C16H14ClF3N2O/c1-3-11-8(2)14-12(22(11)7-16(18,19)20)5-4-10-15(14)9(17)6-13(23)21-10/h4-6H,3,7H2,1-2H3,(H,21,23)
InChIKey
OMXGOGXEWUCLFI-UHFFFAOYSA-N
Compound name
9-chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-6H-pyrrolo[3,2-f]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

139
Patents

342.07468 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08196 176.2
[M+Na]+ 365.06390 190.9
[M-H]- 341.06740 175.3
[M+NH4]+ 360.10850 192.4
[M+K]+ 381.03784 182.0
[M+H-H2O]+ 325.07194 167.4
[M+HCOO]- 387.07288 186.8
[M+CH3COO]- 401.08853 209.7
[M+Na-2H]- 363.04935 178.6
[M]+ 342.07413 178.8
[M]- 342.07523 178.8
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