CID 464392

Chembl3143085

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃

SMILES

C1CC1NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C14H18N4O3/c19-6-11-10(20)5-12(21-11)18-7-16-13-9(17-8-1-2-8)3-4-15-14(13)18/h3-4,7-8,10-12,19-20H,1-2,5-6H2,(H,15,17)/t10-,11+,12+/m0/s1

InChIKey

LOXVKSNLZNWQHI-QJPTWQEYSA-N

Compound name

(2R,3S,5R)-5-[7-(cyclopropylamino)imidazo[4,5-b]pyridin-3-yl]-2-(hydroxymethyl)oxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.13788 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.145156	165.2
[M+Na]+	313.127098	175.6
[M-H]-	289.130604	171.5
[M+NH4]+	308.171703	174.0
[M+K]+	329.101038	170.0
[M+H-H2O]+	273.135140	157.8
[M+HCOO]-	335.136081	183.4
[M+CH3COO]-	349.151731	175.9
[M+Na-2H]-	311.112546	167.3
[M]+	290.13733142	168.2
[M]-	290.13842858	168.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.