CID 484041

5-(5-bromo-1h-indol-3-yl)-9-chloro-3,4,4a,5,6,10b-hexahydro-2h-pyrano[3,2-c]quinoline

Structural Information

Molecular Formula
C20H18BrClN2O
SMILES
C1CC2C(NC3=C(C2OC1)C=C(C=C3)Cl)C4=CNC5=C4C=C(C=C5)Br
InChI
InChI=1S/C20H18BrClN2O/c21-11-3-5-17-14(8-11)16(10-23-17)19-13-2-1-7-25-20(13)15-9-12(22)4-6-18(15)24-19/h3-6,8-10,13,19-20,23-24H,1-2,7H2
InChIKey
RFLDSJPRECLAAL-UHFFFAOYSA-N
Compound name
5-(5-bromo-1H-indol-3-yl)-9-chloro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0291 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03638 193.0
[M+Na]+ 439.01832 204.6
[M-H]- 415.02182 199.7
[M+NH4]+ 434.06292 207.7
[M+K]+ 454.99226 190.2
[M+H-H2O]+ 399.02636 191.6
[M+HCOO]- 461.02730 198.2
[M+CH3COO]- 475.04295 203.2
[M+Na-2H]- 437.00377 196.0
[M]+ 416.02855 209.0
[M]- 416.02965 209.0
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.