CID 355886

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

Structural Information

Molecular Formula
C17H22N2
SMILES
C1CCN2CCCC(C2C1)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H22N2/c1-2-8-16-13(6-1)15(12-18-16)14-7-5-11-19-10-4-3-9-17(14)19/h1-2,6,8,12,14,17-18H,3-5,7,9-11H2
InChIKey
HRCHVCCGADGSSF-UHFFFAOYSA-N
Compound name
1-(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

254.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 159.7
[M+Na]+ 277.16752 165.0
[M-H]- 253.17102 162.8
[M+NH4]+ 272.21212 176.6
[M+K]+ 293.14146 158.4
[M+H-H2O]+ 237.17556 150.4
[M+HCOO]- 299.17650 173.4
[M+CH3COO]- 313.19215 169.3
[M+Na-2H]- 275.15297 162.9
[M]+ 254.17775 152.1
[M]- 254.17885 152.1
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.