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

15
Patents

270.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.