CID 135480720

Dpgbm

Structural Information

Molecular Formula
C9H15N5O10P2
SMILES
C1=NC2=C(N1COC(COP(=O)(O)O)COP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C9H15N5O10P2/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-22-5(1-23-25(16,17)18)2-24-26(19,20)21/h3,5H,1-2,4H2,(H2,16,17,18)(H2,19,20,21)(H3,10,12,13,15)
InChIKey
XKEDVXJHPVQCFB-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-phosphonooxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

415.02942 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.03670 182.5
[M+Na]+ 438.01864 186.5
[M-H]- 414.02214 174.1
[M+NH4]+ 433.06324 186.1
[M+K]+ 453.99258 187.5
[M+H-H2O]+ 398.02668 170.4
[M+HCOO]- 460.02762 203.5
[M+CH3COO]- 474.04327 213.5
[M+Na-2H]- 436.00409 185.0
[M]+ 415.02887 185.7
[M]- 415.02997 185.7
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

No patent data available for this compound.