CID 378286

Nsc660243

Structural Information

Molecular Formula
C11H18N5O6P
SMILES
C1=NC(=C2C(=N1)N(C=N2)C(CO)OC(CCP(=O)(O)O)CO)N
InChI
InChI=1S/C11H18N5O6P/c12-10-9-11(14-5-13-10)16(6-15-9)8(4-18)22-7(3-17)1-2-23(19,20)21/h5-8,17-18H,1-4H2,(H2,12,13,14)(H2,19,20,21)
InChIKey
ACYHDBYAISKXEU-UHFFFAOYSA-N
Compound name
[3-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-4-hydroxybutyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09946 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10674 176.3
[M+Na]+ 370.08868 181.5
[M-H]- 346.09218 169.6
[M+NH4]+ 365.13328 183.6
[M+K]+ 386.06262 179.8
[M+H-H2O]+ 330.09672 166.0
[M+HCOO]- 392.09766 193.7
[M+CH3COO]- 406.11331 204.7
[M+Na-2H]- 368.07413 177.1
[M]+ 347.09891 177.9
[M]- 347.10001 177.9
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.