CID 355886

2h-quinolizine, octahydro-1-(1h-indol-3-yl)-

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]+ 255.185576 159.7
[M+Na]+ 277.167518 165.0
[M-H]- 253.171024 162.8
[M+NH4]+ 272.212123 176.6
[M+K]+ 293.141458 158.4
[M+H-H2O]+ 237.175560 150.4
[M+HCOO]- 299.176501 173.4
[M+CH3COO]- 313.192151 169.3
[M+Na-2H]- 275.152966 162.9
[M]+ 254.17775142 152.1
[M]- 254.17884858 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.