CID 493044

Chembl294718

Structural Information

Molecular Formula
C7H13N4O5P
SMILES
C1=C(N=C(N(C1=O)CCOCP(=O)(O)O)N)N
InChI
InChI=1S/C7H13N4O5P/c8-5-3-6(12)11(7(9)10-5)1-2-16-4-17(13,14)15/h3H,1-2,4,8H2,(H2,9,10)(H2,13,14,15)
InChIKey
WCSUUVYHWDQQHE-UHFFFAOYSA-N
Compound name
2-(2,4-diamino-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

264.06235 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06963 155.9
[M+Na]+ 287.05157 163.6
[M-H]- 263.05507 152.9
[M+NH4]+ 282.09617 168.0
[M+K]+ 303.02551 161.6
[M+H-H2O]+ 247.05961 146.3
[M+HCOO]- 309.06055 180.8
[M+CH3COO]- 323.07620 195.2
[M+Na-2H]- 285.03702 158.0
[M]+ 264.06180 156.0
[M]- 264.06290 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe