CID 493449

2-(4-cyclohexylamino-imidazo[4,5-c]pyridin-1-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol

Structural Information

Molecular Formula
C17H24N4O3
SMILES
C1CCC(CC1)NC2=NC=CC3=C2N=CN3[C@H]4[C@@H](C[C@H](O4)CO)O
InChI
InChI=1S/C17H24N4O3/c22-9-12-8-14(23)17(24-12)21-10-19-15-13(21)6-7-18-16(15)20-11-4-2-1-3-5-11/h6-7,10-12,14,17,22-23H,1-5,8-9H2,(H,18,20)/t12-,14+,17+/m0/s1
InChIKey
IMMKMXNCKKNZFU-DXCKQFNASA-N
Compound name
(2R,3R,5S)-2-[4-(cyclohexylamino)imidazo[4,5-c]pyridin-1-yl]-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.18484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19212 175.2
[M+Na]+ 355.17406 180.4
[M-H]- 331.17756 180.0
[M+NH4]+ 350.21866 186.3
[M+K]+ 371.14800 176.5
[M+H-H2O]+ 315.18210 166.1
[M+HCOO]- 377.18304 189.3
[M+CH3COO]- 391.19869 184.0
[M+Na-2H]- 353.15951 174.9
[M]+ 332.18429 171.4
[M]- 332.18539 171.4
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.