CID 484033

4-(5-bromo-1h-indol-3-yl)-6,8-dichloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Structural Information

Molecular Formula
C19H15BrCl2N2O
SMILES
C1COC2C1C(NC3=C2C=C(C=C3Cl)Cl)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C19H15BrCl2N2O/c20-9-1-2-16-12(5-9)14(8-23-16)17-11-3-4-25-19(11)13-6-10(21)7-15(22)18(13)24-17/h1-2,5-8,11,17,19,23-24H,3-4H2
InChIKey
LUFCLZUYOSWFMA-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-6,8-dichloro-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

435.9745 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.98178 196.5
[M+Na]+ 458.96372 211.0
[M-H]- 434.96722 203.8
[M+NH4]+ 454.00832 213.3
[M+K]+ 474.93766 196.2
[M+H-H2O]+ 418.97176 196.7
[M+HCOO]- 480.97270 199.6
[M+CH3COO]- 494.98835 207.5
[M+Na-2H]- 456.94917 196.7
[M]+ 435.97395 215.8
[M]- 435.97505 215.8
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.