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

literature stripe

Patent stripe

patents stripe