CID 135398640

Inosinic acid

Structural Information

Molecular Formula
C10H13N4O8P
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
GRSZFWQUAKGDAV-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1254
References

31028
Patents

348.0471 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05438 172.3
[M+Na]+ 371.03632 179.3
[M+NH4]+ 366.08092 173.0
[M+K]+ 387.01026 185.0
[M-H]- 347.03982 168.3
[M+Na-2H]- 369.02177 170.6
[M]+ 348.04655 171.2
[M]- 348.04765 171.2
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