CID 484026

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

Structural Information

Molecular Formula
C19H16BrIN2O
SMILES
C1COC2C1C(NC3=C2C=CC=C3I)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C19H16BrIN2O/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
MNDIQYJINXNGLL-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-6-iodo-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

493.94907 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.95635 184.0
[M+Na]+ 516.93829 189.2
[M-H]- 492.94179 184.8
[M+NH4]+ 511.98289 196.5
[M+K]+ 532.91223 182.3
[M+H-H2O]+ 476.94633 180.3
[M+HCOO]- 538.94727 192.1
[M+CH3COO]- 552.96292 191.7
[M+Na-2H]- 514.92374 176.3
[M]+ 493.94852 196.6
[M]- 493.94962 196.6
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.