CID 15955044

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

Structural Information

Molecular Formula
C12H16N6O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)/C(=N\O)/N)CO)O
InChI
InChI=1S/C12H16N6O4/c13-10(17-21)5-2-18(8-1-6(20)7(3-19)22-8)12-9(5)11(14)15-4-16-12/h2,4,6-8,19-21H,1,3H2,(H2,13,17)(H2,14,15,16)/t6-,7+,8+/m0/s1
InChIKey
KVMAHEPWFHUNBK-XLPZGREQSA-N
Compound name
4-amino-N'-hydroxy-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1233 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13058 166.2
[M+Na]+ 331.11252 174.0
[M-H]- 307.11602 169.1
[M+NH4]+ 326.15712 177.8
[M+K]+ 347.08646 171.5
[M+H-H2O]+ 291.12056 158.2
[M+HCOO]- 353.12150 185.0
[M+CH3COO]- 367.13715 207.1
[M+Na-2H]- 329.09797 167.4
[M]+ 308.12275 164.7
[M]- 308.12385 164.7
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.