CID 15954978

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

Structural Information

Molecular Formula
C15H22N6O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C2N=CN=C3N(C)C)/C(=N\O)/N)CO)O)O
InChI
InChI=1S/C15H22N6O5/c1-15(24)10(23)8(5-22)26-14(15)21-4-7(11(16)19-25)9-12(20(2)3)17-6-18-13(9)21/h4,6,8,10,14,22-25H,5H2,1-3H3,(H2,16,19)/t8-,10-,14-,15-/m1/s1
InChIKey
QCUTVXQNOIPNGJ-FTTKWNSESA-N
Compound name
7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(dimethylamino)-N'-hydroxypyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.16516 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17244 181.2
[M+Na]+ 389.15438 188.9
[M-H]- 365.15788 184.9
[M+NH4]+ 384.19898 192.9
[M+K]+ 405.12832 187.9
[M+H-H2O]+ 349.16242 174.3
[M+HCOO]- 411.16336 198.8
[M+CH3COO]- 425.17901 220.7
[M+Na-2H]- 387.13983 182.0
[M]+ 366.16461 183.3
[M]- 366.16571 183.3
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

No patent data available for this compound.