CID 3088645

118687-89-1

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]+ 289.146576 168.1
[M+Na]+ 311.128518 175.1
[M-H]- 287.132024 171.1
[M+NH4]+ 306.173123 184.7
[M+K]+ 327.102458 167.0
[M+H-H2O]+ 271.136560 159.2
[M+HCOO]- 333.137501 177.0
[M+CH3COO]- 347.153151 177.5
[M+Na-2H]- 309.113966 169.9
[M]+ 288.13875142 163.0
[M]- 288.13984858 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.