CID 22293182

1-(piperidin-4-yl)-1h,2h,3h-imidazo[4,5-b]pyridin-2-one dihydrochloride

Structural Information

Molecular Formula
C11H14N4O
SMILES
C1CNCCC1N2C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C11H14N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16)
InChIKey
NNTFPLKBXGDCPG-UHFFFAOYSA-N
Compound name
1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

291
Patents

218.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12404 148.5
[M+Na]+ 241.10598 157.0
[M-H]- 217.10948 148.1
[M+NH4]+ 236.15058 162.7
[M+K]+ 257.07992 151.0
[M+H-H2O]+ 201.11402 139.2
[M+HCOO]- 263.11496 163.5
[M+CH3COO]- 277.13061 158.9
[M+Na-2H]- 239.09143 153.6
[M]+ 218.11621 143.1
[M]- 218.11731 143.1
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

patents stripe