CID 513063

Araaipy-3'-p

Structural Information

Molecular Formula
C9H16N4O7P
SMILES
C1=C[N+](=C(N=C1N)N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
InChI
InChI=1S/C9H15N4O7P/c10-5-1-2-13(9(11)12-5)8-6(15)7(4(3-14)19-8)20-21(16,17)18/h1-2,4,6-8,14-15H,3H2,(H5,10,11,12,16,17,18)/p+1/t4-,6+,7-,8-/m1/s1
InChIKey
SMQKQXJTAQMHCI-PXBUCIJWSA-O
Compound name
[(2R,3S,4S,5R)-5-(2,4-diaminopyrimidin-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.07565 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08293 166.5
[M+Na]+ 346.06487 171.7
[M-H]- 322.06837 165.3
[M+NH4]+ 341.10947 174.7
[M+K]+ 362.03881 165.4
[M+H-H2O]+ 306.07291 159.6
[M+HCOO]- 368.07385 185.8
[M+CH3COO]- 382.08950 194.6
[M+Na-2H]- 344.05032 169.3
[M]+ 323.07510 162.3
[M]- 323.07620 162.3
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.