CID 484030

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

Structural Information

Molecular Formula
C19H16BrFN2O
SMILES
C1COC2C1C(NC3=C2C=C(C=C3)F)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C19H16BrFN2O/c20-10-1-3-16-13(7-10)15(9-22-16)18-12-5-6-24-19(12)14-8-11(21)2-4-17(14)23-18/h1-4,7-9,12,18-19,22-23H,5-6H2
InChIKey
GRQKWDSNUKWPFP-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-8-fluoro-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

386.043 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.05028 188.2
[M+Na]+ 409.03222 200.5
[M-H]- 385.03572 195.0
[M+NH4]+ 404.07682 205.2
[M+K]+ 425.00616 187.2
[M+H-H2O]+ 369.04026 187.2
[M+HCOO]- 431.04120 199.6
[M+CH3COO]- 445.05685 199.5
[M+Na-2H]- 407.01767 189.5
[M]+ 386.04245 203.3
[M]- 386.04355 203.3
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.