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

47
Patents

199.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 142.8
[M+Na]+ 222.10017 150.9
[M-H]- 198.10367 143.7
[M+NH4]+ 217.14477 159.2
[M+K]+ 238.07411 144.7
[M+H-H2O]+ 182.10821 134.2
[M+HCOO]- 244.10915 160.1
[M+CH3COO]- 258.12480 154.1
[M+Na-2H]- 220.08562 149.6
[M]+ 199.11040 137.7
[M]- 199.11150 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