CID 135566536

Chembl2414636

Structural Information

Molecular Formula
C11H17N4O5P
SMILES
C1=C(C2=C(N1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO
InChI
InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m0/s1
InChIKey
YYXVNWBGVIIBOW-QMMMGPOBSA-N
Compound name
[(3S)-4-hydroxy-3-[(4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]butyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

316.09366 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10094 170.7
[M+Na]+ 339.08288 176.6
[M-H]- 315.08638 164.1
[M+NH4]+ 334.12748 180.4
[M+K]+ 355.05682 172.3
[M+H-H2O]+ 299.09092 161.2
[M+HCOO]- 361.09186 189.5
[M+CH3COO]- 375.10751 196.0
[M+Na-2H]- 337.06833 172.6
[M]+ 316.09311 169.6
[M]- 316.09421 169.6
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.