CID 6334737

Dda-hp

Structural Information

Molecular Formula
C10H13N5O4P
SMILES
C1C[C@@H](O[C@@H]1CO[P+](=O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H12N5O4P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(19-7)3-18-20(16)17/h4-7H,1-3H2,(H2-,11,12,13,16,17)/p+1/t6-,7+/m0/s1
InChIKey
SJLFIVXYOINYLK-NKWVEPMBSA-O
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

298.07053 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07781 160.8
[M+Na]+ 321.05975 168.0
[M-H]- 297.06325 162.3
[M+NH4]+ 316.10435 172.3
[M+K]+ 337.03369 161.8
[M+H-H2O]+ 281.06779 152.2
[M+HCOO]- 343.06873 183.3
[M+CH3COO]- 357.08438 193.2
[M+Na-2H]- 319.04520 163.3
[M]+ 298.06998 160.9
[M]- 298.07108 160.9
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.