CID 484040

Sep-147748

Structural Information

Molecular Formula
C20H18BrClN2O
SMILES
CN1C(C2CCOC2C3=C1C=CC(=C3)Cl)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C20H18BrClN2O/c1-24-18-5-3-12(22)9-15(18)20-13(6-7-25-20)19(24)16-10-23-17-4-2-11(21)8-14(16)17/h2-5,8-10,13,19-20,23H,6-7H2,1H3
InChIKey
PVHFNWVEMLFPOC-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-8-chloro-5-methyl-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

416.0291 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03638 196.5
[M+Na]+ 439.01832 210.5
[M-H]- 415.02182 205.6
[M+NH4]+ 434.06292 214.2
[M+K]+ 454.99226 196.9
[M+H-H2O]+ 399.02636 196.1
[M+HCOO]- 461.02730 205.4
[M+CH3COO]- 475.04295 208.4
[M+Na-2H]- 437.00377 197.0
[M]+ 416.02855 216.6
[M]- 416.02965 216.6
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.