CID 3011372

Chembl348215

Structural Information

Molecular Formula
C11H19N4O7P
SMILES
CCOC(=O)CC1=C(N=C(N=C1OCCOCP(=O)(O)O)N)N
InChI
InChI=1S/C11H19N4O7P/c1-2-21-8(16)5-7-9(12)14-11(13)15-10(7)22-4-3-20-6-23(17,18)19/h2-6H2,1H3,(H2,17,18,19)(H4,12,13,14,15)
InChIKey
GQKNZBNHBMKKBS-UHFFFAOYSA-N
Compound name
2-[2,6-diamino-5-(2-ethoxy-2-oxoethyl)pyrimidin-4-yl]oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

350.09912 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10640 176.5
[M+Na]+ 373.08834 181.5
[M-H]- 349.09184 172.9
[M+NH4]+ 368.13294 184.7
[M+K]+ 389.06228 181.0
[M+H-H2O]+ 333.09638 165.7
[M+HCOO]- 395.09732 199.5
[M+CH3COO]- 409.11297 212.2
[M+Na-2H]- 371.07379 176.3
[M]+ 350.09857 180.0
[M]- 350.09967 180.0
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