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]+ 286.15502 166.4
[M+Na]+ 308.13696 173.9
[M-H]- 284.14046 168.4
[M+NH4]+ 303.18156 183.4
[M+K]+ 324.11090 169.0
[M+H-H2O]+ 268.14500 158.2
[M+HCOO]- 330.14594 180.8
[M+CH3COO]- 344.16159 176.5
[M+Na-2H]- 306.12241 167.4
[M]+ 285.14719 165.4
[M]- 285.14829 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.