CID 3011371

Chembl146182

Structural Information

Molecular Formula
C11H19N4O7P
SMILES
CCOC(=O)CC1=C(N=C(N(C1=O)CCOCP(=O)(O)O)N)N
InChI
InChI=1S/C11H19N4O7P/c1-2-22-8(16)5-7-9(12)14-11(13)15(10(7)17)3-4-21-6-23(18,19)20/h2-6,12H2,1H3,(H2,13,14)(H2,18,19,20)
InChIKey
IMYSFVXVAQXASL-UHFFFAOYSA-N
Compound name
2-[2,4-diamino-5-(2-ethoxy-2-oxoethyl)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.09912 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10640 176.2
[M+Na]+ 373.08834 182.5
[M-H]- 349.09184 173.1
[M+NH4]+ 368.13294 184.8
[M+K]+ 389.06228 181.4
[M+H-H2O]+ 333.09638 165.9
[M+HCOO]- 395.09732 199.4
[M+CH3COO]- 409.11297 212.9
[M+Na-2H]- 371.07379 175.3
[M]+ 350.09857 179.5
[M]- 350.09967 179.5
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

No patent data available for this compound.