CID 66831588

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

Structural Information

Molecular Formula
C8H10N4O
SMILES
C1=CC2=C(N=C1)N(C(=O)N2)CCN
InChI
InChI=1S/C8H10N4O/c9-3-5-12-7-6(11-8(12)13)2-1-4-10-7/h1-2,4H,3,5,9H2,(H,11,13)
InChIKey
RYLJPONAOGDZLM-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

178.08546 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 135.0
[M+Na]+ 201.07468 146.1
[M-H]- 177.07818 134.8
[M+NH4]+ 196.11928 153.2
[M+K]+ 217.04862 141.8
[M+H-H2O]+ 161.08272 127.5
[M+HCOO]- 223.08366 157.4
[M+CH3COO]- 237.09931 148.2
[M+Na-2H]- 199.06013 142.8
[M]+ 178.08491 135.1
[M]- 178.08601 135.1
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