CID 73652

3-deaza-dhcaa

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1C[C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O
InChI
InChI=1S/C11H14N4O2/c12-11-9-6(3-4-13-11)15(5-14-9)7-1-2-8(16)10(7)17/h3-5,7-8,10,16-17H,1-2H2,(H2,12,13)/t7-,8-,10+/m1/s1
InChIKey
RUCFKJGLNUIODR-MRTMQBJTSA-N
Compound name
(1R,2S,3R)-3-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

234.11168 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 149.9
[M+Na]+ 257.10090 159.7
[M-H]- 233.10440 152.1
[M+NH4]+ 252.14550 166.9
[M+K]+ 273.07484 155.3
[M+H-H2O]+ 217.10894 142.5
[M+HCOO]- 279.10988 169.2
[M+CH3COO]- 293.12553 161.8
[M+Na-2H]- 255.08635 152.0
[M]+ 234.11113 147.9
[M]- 234.11223 147.9
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

patents stripe