CID 484143

8-chloro-4-(5-fluoro-1h-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Structural Information

Molecular Formula
C19H16ClFN2O
SMILES
C1COC2C1C(NC3=C2C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)F
InChI
InChI=1S/C19H16ClFN2O/c20-10-1-3-17-14(7-10)19-12(5-6-24-19)18(23-17)15-9-22-16-4-2-11(21)8-13(15)16/h1-4,7-9,12,18-19,22-23H,5-6H2
InChIKey
HRQSHJRXJOUQNV-UHFFFAOYSA-N
Compound name
8-chloro-4-(5-fluoro-1H-indol-3-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.0935 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10078 177.7
[M+Na]+ 365.08272 188.7
[M-H]- 341.08622 181.8
[M+NH4]+ 360.12732 193.6
[M+K]+ 381.05666 180.0
[M+H-H2O]+ 325.09076 169.7
[M+HCOO]- 387.09170 186.2
[M+CH3COO]- 401.10735 187.7
[M+Na-2H]- 363.06817 178.1
[M]+ 342.09295 176.5
[M]- 342.09405 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.