CID 24752838

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1h-pyrrolo[2,3-b]pyridine-3-carboxylate

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=C3C=CC=N4
InChI
InChI=1S/C16H19N3O2/c1-19-10-4-5-11(19)8-12(7-10)21-16(20)14-9-18-15-13(14)3-2-6-17-15/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,17,18)/t10-,11+,12?
InChIKey
WQGFCATXRXQKNB-FOSCPWQOSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.155016 166.4
[M+Na]+ 308.136958 173.9
[M-H]- 284.140464 168.4
[M+NH4]+ 303.181563 183.4
[M+K]+ 324.110898 169.0
[M+H-H2O]+ 268.145000 158.2
[M+HCOO]- 330.145941 180.8
[M+CH3COO]- 344.161591 176.5
[M+Na-2H]- 306.122406 167.4
[M]+ 285.14719142 165.4
[M]- 285.14828858 165.4
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.