CID 464397

Chembl3143082

Structural Information

Molecular Formula
C17H23ClN4O3
SMILES
C1CCC(CC1)NC2=CC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)CO)O)Cl
InChI
InChI=1S/C17H23ClN4O3/c18-14-6-11(20-10-4-2-1-3-5-10)16-17(21-14)22(9-19-16)15-7-12(24)13(8-23)25-15/h6,9-10,12-13,15,23-24H,1-5,7-8H2,(H,20,21)/t12-,13+,15+/m0/s1
InChIKey
VKAISMJLRZBFEC-GZBFAFLISA-N
Compound name
(2R,3S,5R)-5-[5-chloro-7-(cyclohexylamino)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

366.14587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15315 184.5
[M+Na]+ 389.13509 191.2
[M-H]- 365.13859 189.3
[M+NH4]+ 384.17969 195.2
[M+K]+ 405.10903 185.9
[M+H-H2O]+ 349.14313 175.6
[M+HCOO]- 411.14407 193.7
[M+CH3COO]- 425.15972 192.9
[M+Na-2H]- 387.12054 182.7
[M]+ 366.14532 183.1
[M]- 366.14642 183.1
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.