CID 14578801

Ns00116656

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=C3C=C(C=C4)O
InChI
InChI=1S/C17H20N2O3/c1-19-10-2-3-11(19)7-13(6-10)22-17(21)15-9-18-16-5-4-12(20)8-14(15)16/h4-5,8-11,13,18,20H,2-3,6-7H2,1H3
InChIKey
DKXQNOVTLKKEJJ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-hydroxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 169.6
[M+Na]+ 323.136618 177.0
[M-H]- 299.140124 171.9
[M+NH4]+ 318.181223 187.1
[M+K]+ 339.110558 171.9
[M+H-H2O]+ 283.144660 163.0
[M+HCOO]- 345.145601 183.7
[M+CH3COO]- 359.161251 179.7
[M+Na-2H]- 321.122066 169.6
[M]+ 300.14685142 168.6
[M]- 300.14794858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.