CID 484031

4-(5-bromo-1h-indol-3-yl)-6-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Structural Information

Molecular Formula
C20H16BrF3N2O
SMILES
C1COC2C1C(NC3=C2C=CC=C3C(F)(F)F)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C20H16BrF3N2O/c21-10-4-5-16-13(8-10)14(9-25-16)17-12-6-7-27-19(12)11-2-1-3-15(18(11)26-17)20(22,23)24/h1-5,8-9,12,17,19,25-26H,6-7H2
InChIKey
CGQHYGLBGSIDCL-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-6-(trifluoromethyl)-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

436.0398 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04708 203.4
[M+Na]+ 459.02902 215.7
[M-H]- 435.03252 207.8
[M+NH4]+ 454.07362 218.5
[M+K]+ 475.00296 201.9
[M+H-H2O]+ 419.03706 201.1
[M+HCOO]- 481.03800 210.9
[M+CH3COO]- 495.05365 213.0
[M+Na-2H]- 457.01447 203.7
[M]+ 436.03925 216.2
[M]- 436.04035 216.3
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.