CID 14822063

4-{1h-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CNCC=C1C2=CNC3=C2C=CC=N3
InChI
InChI=1S/C12H13N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-3,5,8,13H,4,6-7H2,(H,14,15)
InChIKey
OQDGBIQQFFTLKL-UHFFFAOYSA-N
Compound name
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

199.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 142.8
[M+Na]+ 222.100168 150.9
[M-H]- 198.103674 143.7
[M+NH4]+ 217.144773 159.2
[M+K]+ 238.074108 144.7
[M+H-H2O]+ 182.108210 134.2
[M+HCOO]- 244.109151 160.1
[M+CH3COO]- 258.124801 154.1
[M+Na-2H]- 220.085616 149.6
[M]+ 199.11040142 137.7
[M]- 199.11149858 137.7
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

patents stripe