CID 3011378

Chembl356135

Structural Information

Molecular Formula
C10H17N4O5P
SMILES
C1CC1C2=C(N=C(N=C2OCCOCP(=O)(O)O)N)N
InChI
InChI=1S/C10H17N4O5P/c11-8-7(6-1-2-6)9(14-10(12)13-8)19-4-3-18-5-20(15,16)17/h6H,1-5H2,(H2,15,16,17)(H4,11,12,13,14)
InChIKey
BVUKVQMPWRQFBT-UHFFFAOYSA-N
Compound name
2-(2,6-diamino-5-cyclopropylpyrimidin-4-yl)oxyethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

304.09366 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10094 168.8
[M+Na]+ 327.08288 176.8
[M-H]- 303.08638 169.4
[M+NH4]+ 322.12748 174.8
[M+K]+ 343.05682 172.2
[M+H-H2O]+ 287.09092 159.0
[M+HCOO]- 349.09186 192.8
[M+CH3COO]- 363.10751 205.9
[M+Na-2H]- 325.06833 169.9
[M]+ 304.09311 172.1
[M]- 304.09421 172.1
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