CID 484036

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

Structural Information

Molecular Formula
C20H19BrN2O2
SMILES
COC1=CC=CC2=C1NC(C3C2OCC3)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C20H19BrN2O2/c1-24-17-4-2-3-12-19(17)23-18(13-7-8-25-20(12)13)15-10-22-16-6-5-11(21)9-14(15)16/h2-6,9-10,13,18,20,22-23H,7-8H2,1H3
InChIKey
JBHFUIVIDNOGFJ-UHFFFAOYSA-N
Compound name
4-(5-bromo-1H-indol-3-yl)-6-methoxy-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

398.063 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07028 190.9
[M+Na]+ 421.05222 202.4
[M-H]- 397.05572 198.8
[M+NH4]+ 416.09682 207.4
[M+K]+ 437.02616 190.1
[M+H-H2O]+ 381.06026 190.5
[M+HCOO]- 443.06120 203.0
[M+CH3COO]- 457.07685 202.2
[M+Na-2H]- 419.03767 192.6
[M]+ 398.06245 208.4
[M]- 398.06355 208.4
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.