CID 484039

2-(5-bromoindol-3-yl)-6-chloroquinoline

Structural Information

Molecular Formula
C17H10BrClN2
SMILES
C1=CC2=C(C=CC(=N2)C3=CNC4=C3C=C(C=C4)Br)C=C1Cl
InChI
InChI=1S/C17H10BrClN2/c18-11-2-5-16-13(8-11)14(9-20-16)17-4-1-10-7-12(19)3-6-15(10)21-17/h1-9,20H
InChIKey
BYVTWFYOIBNHIY-UHFFFAOYSA-N
Compound name
2-(5-bromo-1H-indol-3-yl)-6-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

355.9716 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97888 173.8
[M+Na]+ 378.96082 189.3
[M-H]- 354.96432 181.8
[M+NH4]+ 374.00542 192.3
[M+K]+ 394.93476 173.9
[M+H-H2O]+ 338.96886 172.9
[M+HCOO]- 400.96980 188.0
[M+CH3COO]- 414.98545 187.5
[M+Na-2H]- 376.94627 180.9
[M]+ 355.97105 194.9
[M]- 355.97215 194.9
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