CID 15954971

4-amino-7-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-n-hydroxy-pyrrolo[2,3-d]pyrimidine-5-carboxamidine

Structural Information

Molecular Formula
C13H18N6O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)/C(=N\O)/N)CO)O)O
InChI
InChI=1S/C13H18N6O5/c1-13(22)8(21)6(3-20)24-12(13)19-2-5(9(14)18-23)7-10(15)16-4-17-11(7)19/h2,4,6,8,12,20-23H,3H2,1H3,(H2,14,18)(H2,15,16,17)/t6-,8-,12-,13-/m1/s1
InChIKey
KCKBOTVZEMHWKU-CZTVAOSCSA-N
Compound name
4-amino-7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N'-hydroxypyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.13388 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14116 172.6
[M+Na]+ 361.12310 181.2
[M-H]- 337.12660 174.8
[M+NH4]+ 356.16770 184.6
[M+K]+ 377.09704 178.8
[M+H-H2O]+ 321.13114 166.0
[M+HCOO]- 383.13208 189.8
[M+CH3COO]- 397.14773 211.6
[M+Na-2H]- 359.10855 174.1
[M]+ 338.13333 172.0
[M]- 338.13443 172.0
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.