CID 5271249

104532-12-9

Structural Information

Molecular Formula
C11H15N6O7P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(C(=O)N)O)O)O)N
InChI
InChI=1S/C11H15N6O7P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-25(21,22)11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1
InChIKey
WFMFZCMDIMBWNC-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-carbamoylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.07397 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08125 177.9
[M+Na]+ 397.06319 184.0
[M-H]- 373.06669 177.2
[M+NH4]+ 392.10779 184.7
[M+K]+ 413.03713 183.9
[M+H-H2O]+ 357.07123 168.0
[M+HCOO]- 419.07217 196.6
[M+CH3COO]- 433.08782 214.4
[M+Na-2H]- 395.04864 176.8
[M]+ 374.07342 178.1
[M]- 374.07452 178.1
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.