CID 378284

Nsc660242

Structural Information

Molecular Formula
C11H16N5O6P
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CCP(=O)(O)O)O)O)N
InChI
InChI=1S/C11H16N5O6P/c12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(22-11)1-2-23(19,20)21/h3-5,7-8,11,17-18H,1-2H2,(H2,12,13,14)(H2,19,20,21)
InChIKey
ZUNJAJMPPKRIGU-UHFFFAOYSA-N
Compound name
2-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08383 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09111 176.1
[M+Na]+ 368.07305 183.4
[M-H]- 344.07655 174.3
[M+NH4]+ 363.11765 184.4
[M+K]+ 384.04699 181.7
[M+H-H2O]+ 328.08109 166.6
[M+HCOO]- 390.08203 193.6
[M+CH3COO]- 404.09768 204.3
[M+Na-2H]- 366.05850 175.0
[M]+ 345.08328 176.2
[M]- 345.08438 176.2
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.