CID 3077889

136105-26-5

Structural Information

Molecular Formula
C9H13N6O7P
SMILES
C1=NC2=C(N=NN=C2N1[C@H]3[C@H]([C@@](O3)(CO)OP(=O)(O)O)CO)N
InChI
InChI=1S/C9H13N6O7P/c10-6-5-7(13-14-12-6)15(3-11-5)8-4(1-16)9(2-17,21-8)22-23(18,19)20/h3-4,8,16-17H,1-2H2,(H2,10,12,13)(H2,18,19,20)/t4-,8-,9-/m1/s1
InChIKey
QUIANSREZZVRQV-AZHPSCLISA-N
Compound name
[(2S,3R,4R)-4-(4-aminoimidazo[4,5-d]triazin-7-yl)-2,3-bis(hydroxymethyl)oxetan-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.05832 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06560 178.6
[M+Na]+ 371.04754 184.3
[M-H]- 347.05104 174.8
[M+NH4]+ 366.09214 178.8
[M+K]+ 387.02148 187.0
[M+H-H2O]+ 331.05558 162.8
[M+HCOO]- 393.05652 193.6
[M+CH3COO]- 407.07217 206.4
[M+Na-2H]- 369.03299 181.1
[M]+ 348.05777 189.1
[M]- 348.05887 189.1
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.