CID 484027

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

Structural Information

Molecular Formula
C19H16BrClN2O
SMILES
C1COC2C1C(NC3=C2C=CC=C3Cl)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C19H16BrClN2O/c20-10-4-5-16-13(8-10)14(9-22-16)17-12-6-7-24-19(12)11-2-1-3-15(21)18(11)23-17/h1-5,8-9,12,17,19,22-23H,6-7H2
InChIKey
ZUMBBEZEJYHGAB-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-6-chloro-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

402.01346 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.02074 190.7
[M+Na]+ 425.00268 203.9
[M-H]- 401.00618 198.5
[M+NH4]+ 420.04728 208.1
[M+K]+ 440.97662 189.8
[M+H-H2O]+ 385.01072 190.7
[M+HCOO]- 447.01166 198.6
[M+CH3COO]- 461.02731 202.2
[M+Na-2H]- 422.98813 192.2
[M]+ 402.01291 208.7
[M]- 402.01401 208.7
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.