CID 135398677

5'-dehydroinosine

Structural Information

Molecular Formula
C10H10N4O5
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O
InChI
InChI=1S/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h1-4,6-7,10,16-17H,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKey
UXDAQDIRNNXQHZ-KQYNXXCUSA-N
Compound name
(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.06512 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07240 155.0
[M+Na]+ 289.05434 166.5
[M-H]- 265.05784 156.1
[M+NH4]+ 284.09894 167.7
[M+K]+ 305.02828 163.1
[M+H-H2O]+ 249.06238 147.8
[M+HCOO]- 311.06332 171.0
[M+CH3COO]- 325.07897 166.5
[M+Na-2H]- 287.03979 156.9
[M]+ 266.06457 156.6
[M]- 266.06567 156.6
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

patents stripe