CID 512015

84499-68-3

Structural Information

Molecular Formula
C10H14N8O4
SMILES
C1=NC2C(N1COCCOC(=O)CN=[N+]=[N-])N=C(NC2=O)N
InChI
InChI=1S/C10H14N8O4/c11-10-15-8-7(9(20)16-10)13-4-18(8)5-21-1-2-22-6(19)3-14-17-12/h4,7-8H,1-3,5H2,(H3,11,15,16,20)
InChIKey
BLQIWSJLQOCUDU-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 2-azidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1138 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12108 161.8
[M+Na]+ 333.10302 167.1
[M-H]- 309.10652 162.2
[M+NH4]+ 328.14762 172.4
[M+K]+ 349.07696 160.3
[M+H-H2O]+ 293.11106 156.2
[M+HCOO]- 355.11200 184.3
[M+CH3COO]- 369.12765 205.5
[M+Na-2H]- 331.08847 170.6
[M]+ 310.11325 159.1
[M]- 310.11435 159.1
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.