CID 490352

Ttdhda

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=C[C@H]([C@H]([C@@H]1N2C=NC3=C2C=CN=C3N)O)O
InChI
InChI=1S/C11H12N4O2/c12-11-9-6(3-4-13-11)15(5-14-9)7-1-2-8(16)10(7)17/h1-5,7-8,10,16-17H,(H2,12,13)/t7-,8-,10+/m1/s1
InChIKey
UJJIREDPTVPNLW-MRTMQBJTSA-N
Compound name
(1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

232.09602 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 148.5
[M+Na]+ 255.08524 159.3
[M-H]- 231.08874 151.1
[M+NH4]+ 250.12984 165.7
[M+K]+ 271.05918 154.6
[M+H-H2O]+ 215.09328 141.1
[M+HCOO]- 277.09422 169.2
[M+CH3COO]- 291.10987 160.9
[M+Na-2H]- 253.07069 151.6
[M]+ 232.09547 147.8
[M]- 232.09657 147.8
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.