CID 15954979

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

Structural Information

Molecular Formula
C14H20N6O6
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NOC)/C(=N\O)/N)CO)O)O
InChI
InChI=1S/C14H20N6O6/c1-14(23)9(22)7(4-21)26-13(14)20-3-6(10(15)18-24)8-11(19-25-2)16-5-17-12(8)20/h3,5,7,9,13,21-24H,4H2,1-2H3,(H2,15,18)(H,16,17,19)/t7-,9-,13-,14-/m1/s1
InChIKey
QJVMEOJWAPNKCR-MVNCPAOLSA-N
Compound name
7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N'-hydroxy-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.14444 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15172 177.7
[M+Na]+ 391.13366 185.4
[M-H]- 367.13716 180.1
[M+NH4]+ 386.17826 188.6
[M+K]+ 407.10760 184.0
[M+H-H2O]+ 351.14170 170.8
[M+HCOO]- 413.14264 195.3
[M+CH3COO]- 427.15829 217.3
[M+Na-2H]- 389.11911 180.2
[M]+ 368.14389 179.7
[M]- 368.14499 179.7
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.