CID 484032

Sep-148466

Structural Information

Molecular Formula
C19H15BrCl2N2O
SMILES
C1COC2C1C(N(C3=C2C=CC(=C3)Cl)Cl)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C19H15BrCl2N2O/c20-10-1-4-16-14(7-10)15(9-23-16)18-13-5-6-25-19(13)12-3-2-11(21)8-17(12)24(18)22/h1-4,7-9,13,18-19,23H,5-6H2
InChIKey
BJQIFBZEVLVUEQ-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-5,7-dichloro-3,3a,4,9b-tetrahydro-2H-furo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.9745 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.98178 197.0
[M+Na]+ 458.96372 212.0
[M-H]- 434.96722 205.4
[M+NH4]+ 454.00832 214.4
[M+K]+ 474.93766 197.8
[M+H-H2O]+ 418.97176 196.8
[M+HCOO]- 480.97270 201.4
[M+CH3COO]- 494.98835 208.6
[M+Na-2H]- 456.94917 197.4
[M]+ 435.97395 217.8
[M]- 435.97505 217.8
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.