CID 10199314

Sdz-206-792

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂

SMILES

C1CC2CC(CC1N2)OC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C16H18N2O2/c19-16(14-9-17-15-4-2-1-3-13(14)15)20-12-7-10-5-6-11(8-12)18-10/h1-4,9-12,17-18H,5-8H2

InChIKey

LCAGVMWMARLFPS-UHFFFAOYSA-N

Compound name

8-azabicyclo[3.2.1]octan-3-yl 1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 49
Patents: 270.13684 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.14412	161.2
[M+Na]+	293.12606	167.5
[M-H]-	269.12956	162.9
[M+NH4]+	288.17066	179.4
[M+K]+	309.10000	162.0
[M+H-H2O]+	253.13410	154.1
[M+HCOO]-	315.13504	175.6
[M+CH3COO]-	329.15069	171.2
[M+Na-2H]-	291.11151	162.9
[M]+	270.13629	157.6
[M]-	270.13739	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe