CID 472218

2-(2-amino-4-oxo-pteridin-3-yl)ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C9H12N5O5P
SMILES
C1=CN=C2C(=N1)C(=O)N(C(=N2)N)CCOCP(=O)(O)O
InChI
InChI=1S/C9H12N5O5P/c10-9-13-7-6(11-1-2-12-7)8(15)14(9)3-4-19-5-20(16,17)18/h1-2H,3-5H2,(H2,10,12,13)(H2,16,17,18)
InChIKey
GHGYHDXORIJREG-UHFFFAOYSA-N
Compound name
2-(2-amino-4-oxopteridin-3-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05762 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06490 166.7
[M+Na]+ 324.04684 175.3
[M-H]- 300.05034 162.4
[M+NH4]+ 319.09144 175.8
[M+K]+ 340.02078 172.4
[M+H-H2O]+ 284.05488 155.7
[M+HCOO]- 346.05582 187.4
[M+CH3COO]- 360.07147 200.0
[M+Na-2H]- 322.03229 171.6
[M]+ 301.05707 168.7
[M]- 301.05817 168.7
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.