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

literature stripe

Patent stripe

patents stripe