CID 482112

Damppnp

Structural Information

Molecular Formula
C10H17N6O11P3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O
InChI
InChI=1S/C10H17N6O11P3/c11-9-8-10(13-3-12-9)16(4-14-8)7-1-5(17)6(26-7)2-25-30(23,24)27-29(21,22)15-28(18,19)20/h3-7,17H,1-2H2,(H,23,24)(H2,11,12,13)(H4,15,18,19,20,21,22)/t5-,6+,7+/m0/s1
InChIKey
FTBXHHNDPKMYKL-RRKCRQDMSA-N
Compound name
[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.0168 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.02408 195.7
[M+Na]+ 513.00602 200.8
[M-H]- 489.00952 189.8
[M+NH4]+ 508.05062 195.4
[M+K]+ 528.97996 198.5
[M+H-H2O]+ 473.01406 180.4
[M+HCOO]- 535.01500 198.1
[M+CH3COO]- 549.03065 230.5
[M+Na-2H]- 510.99147 189.6
[M]+ 490.01625 188.4
[M]- 490.01735 188.4
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.