CID 3088645

Octahydro-1-(5-chloro-1h-indol-3-yl)-2h-quinolizine

Structural Information

Molecular Formula
C17H21ClN2
SMILES
C1CCN2CCCC(C2C1)C3=CNC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C17H21ClN2/c18-12-6-7-16-14(10-12)15(11-19-16)13-4-3-9-20-8-2-1-5-17(13)20/h6-7,10-11,13,17,19H,1-5,8-9H2
InChIKey
FWPXMNAUHGIXLW-UHFFFAOYSA-N
Compound name
1-(5-chloro-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 168.1
[M+Na]+ 311.12852 175.1
[M-H]- 287.13202 171.1
[M+NH4]+ 306.17312 184.7
[M+K]+ 327.10246 167.0
[M+H-H2O]+ 271.13656 159.2
[M+HCOO]- 333.13750 177.0
[M+CH3COO]- 347.15315 177.5
[M+Na-2H]- 309.11397 169.9
[M]+ 288.13875 163.0
[M]- 288.13985 163.0
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.