CID 464405

2cl-n(6)me-1-deaza-dda

Structural Information

Molecular Formula
C12H15ClN4O2
SMILES
CNC1=CC(=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO)Cl
InChI
InChI=1S/C12H15ClN4O2/c1-14-8-4-9(13)16-12-11(8)15-6-17(12)10-3-2-7(5-18)19-10/h4,6-7,10,18H,2-3,5H2,1H3,(H,14,16)/t7-,10+/m0/s1
InChIKey
RBCFCTXWFDJQKD-OIBJUYFYSA-N
Compound name
[(2S,5R)-5-[5-chloro-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.08835 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09563 162.5
[M+Na]+ 305.07757 173.0
[M-H]- 281.08107 166.4
[M+NH4]+ 300.12217 177.9
[M+K]+ 321.05151 168.7
[M+H-H2O]+ 265.08561 154.7
[M+HCOO]- 327.08655 177.7
[M+CH3COO]- 341.10220 174.2
[M+Na-2H]- 303.06302 165.0
[M]+ 282.08780 165.8
[M]- 282.08890 165.8
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.