CID 135467813

2-amino-9-[2-(phosphonoacetamidoxy)ethoxymethyl]-1,9-dihydropurin-6-one

Structural Information

Molecular Formula
C10H15N6O7P
SMILES
C1=NC2=C(N1COCCONC(=O)CP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15N6O7P/c11-10-13-8-7(9(18)14-10)12-4-16(8)5-22-1-2-23-15-6(17)3-24(19,20)21/h4H,1-3,5H2,(H,15,17)(H2,19,20,21)(H3,11,13,14,18)
InChIKey
WJXNRPVXYJWMHF-UHFFFAOYSA-N
Compound name
[2-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxyamino]-2-oxoethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.07397 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08125 173.6
[M+Na]+ 385.06319 180.0
[M-H]- 361.06669 168.7
[M+NH4]+ 380.10779 180.7
[M+K]+ 401.03713 178.4
[M+H-H2O]+ 345.07123 162.9
[M+HCOO]- 407.07217 195.2
[M+CH3COO]- 421.08782 210.2
[M+Na-2H]- 383.04864 176.9
[M]+ 362.07342 176.6
[M]- 362.07452 176.6
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.