CID 490350

106175-19-3

Structural Information

Molecular Formula
C12H16N4O2
SMILES
C[C@H]1C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C2C=CN=C3N
InChI
InChI=1S/C12H16N4O2/c1-6-4-8(11(18)10(6)17)16-5-15-9-7(16)2-3-14-12(9)13/h2-3,5-6,8,10-11,17-18H,4H2,1H3,(H2,13,14)/t6-,8+,10+,11-/m0/s1
InChIKey
ORUREXCBCPRFQK-HBJDUEGVSA-N
Compound name
(1R,2S,3R,5S)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-methylcyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

248.12732 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 155.3
[M+Na]+ 271.116538 165.5
[M-H]- 247.120044 157.7
[M+NH4]+ 266.161143 172.1
[M+K]+ 287.090478 160.9
[M+H-H2O]+ 231.124580 148.0
[M+HCOO]- 293.125521 174.2
[M+CH3COO]- 307.141171 167.1
[M+Na-2H]- 269.101986 156.1
[M]+ 248.12677142 154.0
[M]- 248.12786858 154.0
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.