CID 3010378

Schembl30047254

Structural Information

Molecular Formula
C11H15N5O4
SMILES
C1=CN(C2=NC=NC(=C21)NN)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c12-15-9-5-1-2-16(10(5)14-4-13-9)11-8(19)7(18)6(3-17)20-11/h1-2,4,6-8,11,17-19H,3,12H2,(H,13,14,15)/t6-,7-,8-,11-/m1/s1
InChIKey
AURFZFSFOHBPNJ-KCGFPETGSA-N
Compound name
(2R,3R,4S,5R)-2-(4-hydrazinylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

281.1124 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 158.8
[M+Na]+ 304.10162 167.7
[M-H]- 280.10512 160.8
[M+NH4]+ 299.14622 171.6
[M+K]+ 320.07556 164.6
[M+H-H2O]+ 264.10966 151.4
[M+HCOO]- 326.11060 176.9
[M+CH3COO]- 340.12625 169.5
[M+Na-2H]- 302.08707 161.4
[M]+ 281.11185 158.2
[M]- 281.11295 158.2
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.