CID 464402

Chembl3143090

Structural Information

Molecular Formula
C19H28N4O3
SMILES
C1CCCC(CCC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C19H28N4O3/c24-11-16-15(25)10-17(26-16)23-12-21-18-14(8-9-20-19(18)23)22-13-6-4-2-1-3-5-7-13/h8-9,12-13,15-17,24-25H,1-7,10-11H2,(H,20,22)/t15-,16+,17+/m0/s1
InChIKey
KEMICGMUYDFMDW-GVDBMIGSSA-N
Compound name
(2R,3S,5R)-5-[7-(cyclooctylamino)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

360.21616 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22344 176.6
[M+Na]+ 383.20538 180.1
[M-H]- 359.20888 178.8
[M+NH4]+ 378.24998 181.1
[M+K]+ 399.17932 179.1
[M+H-H2O]+ 343.21342 171.2
[M+HCOO]- 405.21436 182.2
[M+CH3COO]- 419.23001 179.1
[M+Na-2H]- 381.19083 173.2
[M]+ 360.21561 174.3
[M]- 360.21671 174.3
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

No patent data available for this compound.