CID 513617

Hpmba

Structural Information

Molecular Formula
C10H18N5O5P
SMILES
CCCCC1=NC(=C2C(N1OCP(=O)(O)O)(N=CN2)O)N
InChI
InChI=1S/C10H18N5O5P/c1-2-3-4-7-14-9(11)8-10(16,13-5-12-8)15(7)20-6-21(17,18)19/h5,16H,2-4,6,11H2,1H3,(H,12,13)(H2,17,18,19)
InChIKey
PZGDMXKZTZFQRP-UHFFFAOYSA-N
Compound name
(6-amino-2-butyl-4-hydroxy-7H-purin-3-yl)oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.10455 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11183 172.5
[M+Na]+ 342.09377 179.2
[M-H]- 318.09727 165.5
[M+NH4]+ 337.13837 183.4
[M+K]+ 358.06771 176.3
[M+H-H2O]+ 302.10181 163.5
[M+HCOO]- 364.10275 189.1
[M+CH3COO]- 378.11840 199.1
[M+Na-2H]- 340.07922 174.5
[M]+ 319.10400 171.8
[M]- 319.10510 171.8
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.