CID 3063946

8-(3-indole-2-ethyl)-3-nortropanone

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CC2CC(=O)CC1N2CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H20N2O/c20-15-9-13-5-6-14(10-15)19(13)8-7-12-11-18-17-4-2-1-3-16(12)17/h1-4,11,13-14,18H,5-10H2
InChIKey
AHYJFEIFKNIVDK-UHFFFAOYSA-N
Compound name
8-[2-(1H-indol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 163.0
[M+Na]+ 291.14678 170.7
[M-H]- 267.15028 166.1
[M+NH4]+ 286.19138 182.3
[M+K]+ 307.12072 164.4
[M+H-H2O]+ 251.15482 155.5
[M+HCOO]- 313.15576 179.3
[M+CH3COO]- 327.17141 173.8
[M+Na-2H]- 289.13223 164.7
[M]+ 268.15701 161.1
[M]- 268.15811 161.1
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.