CID 171935745

4'-phospho-dehydrooxetanocin

Structural Information

Molecular Formula
C10H12N5O6P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)C=O)N
InChI
InChI=1S/C10H12N5O6P/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(21-10)2-20-22(17,18)19/h1,3-6,10H,2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
InChIKey
BHMGNJCNHIQNRC-OXOINMOOSA-N
Compound name
[(2S,3R,4R)-4-(6-aminopurin-9-yl)-3-formyloxetan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.05252 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.05980 172.0
[M+Na]+ 352.04174 176.4
[M+NH4]+ 347.08634 170.1
[M+K]+ 368.01568 179.6
[M-H]- 328.04524 167.5
[M+Na-2H]- 350.02719 170.1
[M]+ 329.05197 169.5
[M]- 329.05307 169.5
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.