CID 135433926

3-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]propyl-ethoxy-phosphinic acid

Structural Information

Molecular Formula
C11H18N5O5P
SMILES
CCOP(=O)(CCCOCN1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C11H18N5O5P/c1-2-21-22(18,19)5-3-4-20-7-16-6-13-8-9(16)14-11(12)15-10(8)17/h6H,2-5,7H2,1H3,(H,18,19)(H3,12,14,15,17)
InChIKey
CBVXWNUPONMUTA-UHFFFAOYSA-N
Compound name
3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl-ethoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

331.10455 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11183 174.2
[M+Na]+ 354.09377 182.5
[M-H]- 330.09727 170.2
[M+NH4]+ 349.13837 184.1
[M+K]+ 370.06771 179.5
[M+H-H2O]+ 314.10181 163.4
[M+HCOO]- 376.10275 196.4
[M+CH3COO]- 390.11840 205.3
[M+Na-2H]- 352.07922 176.7
[M]+ 331.10400 179.0
[M]- 331.10510 179.0
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

patents stripe