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]+ 333.192116 175.2
[M+Na]+ 355.174058 180.4
[M-H]- 331.177564 180.0
[M+NH4]+ 350.218663 186.3
[M+K]+ 371.147998 176.5
[M+H-H2O]+ 315.182100 166.1
[M+HCOO]- 377.183041 189.3
[M+CH3COO]- 391.198691 184.0
[M+Na-2H]- 353.159506 174.9
[M]+ 332.18429142 171.4
[M]- 332.18538858 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.