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

literature stripe

Patent stripe

patents stripe