CID 3012045

[[(2s,5r)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid

Structural Information

Molecular Formula
C11H14N5O6P
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(C(=O)O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N5O6P/c12-9-8-10(14-4-13-9)16(5-15-8)7-2-1-6(22-7)3-21-23(19,20)11(17)18/h4-7H,1-3H2,(H,17,18)(H,19,20)(H2,12,13,14)/t6-,7+/m0/s1
InChIKey
KGMIEAZDOUSBHV-NKWVEPMBSA-N
Compound name
[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.06818 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07546 171.4
[M+Na]+ 366.05740 177.9
[M-H]- 342.06090 171.6
[M+NH4]+ 361.10200 180.4
[M+K]+ 382.03134 177.7
[M+H-H2O]+ 326.06544 161.1
[M+HCOO]- 388.06638 191.2
[M+CH3COO]- 402.08203 205.7
[M+Na-2H]- 364.04285 171.6
[M]+ 343.06763 172.9
[M]- 343.06873 172.9
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.