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]+ 249.13460 155.3
[M+Na]+ 271.11654 165.5
[M-H]- 247.12004 157.7
[M+NH4]+ 266.16114 172.1
[M+K]+ 287.09048 160.9
[M+H-H2O]+ 231.12458 148.0
[M+HCOO]- 293.12552 174.2
[M+CH3COO]- 307.14117 167.1
[M+Na-2H]- 269.10199 156.1
[M]+ 248.12677 154.0
[M]- 248.12787 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.