CID 464383

Chembl2113387

Structural Information

Molecular Formula
C17H24N4O4
SMILES
C1CCC(CC1)NC2=C3C(=NC=C2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C17H24N4O4/c22-8-12-14(23)15(24)17(25-12)21-9-19-13-11(6-7-18-16(13)21)20-10-4-2-1-3-5-10/h6-7,9-10,12,14-15,17,22-24H,1-5,8H2,(H,18,20)/t12-,14-,15-,17-/m1/s1
InChIKey
DSRMUJPYUHDISF-DNNBLBMLSA-N
Compound name
(2R,3R,4S,5R)-2-[7-(cyclohexylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.17975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18703 178.5
[M+Na]+ 371.16897 183.9
[M-H]- 347.17247 182.5
[M+NH4]+ 366.21357 188.4
[M+K]+ 387.14291 179.9
[M+H-H2O]+ 331.17701 170.0
[M+HCOO]- 393.17795 191.2
[M+CH3COO]- 407.19360 186.8
[M+Na-2H]- 369.15442 177.4
[M]+ 348.17920 174.9
[M]- 348.18030 174.9
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

No patent data available for this compound.