CID 6245

Tubercidin

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
InChIKey
HDZZVAMISRMYHH-KCGFPETGSA-N
Compound name
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

797
References

52077
Patents

266.1015 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 157.8
[M+Na]+ 289.09072 167.7
[M+NH4]+ 284.13532 162.9
[M+K]+ 305.06466 169.2
[M-H]- 265.09422 158.9
[M+Na-2H]- 287.07617 159.6
[M]+ 266.10095 159.0
[M]- 266.10205 159.0
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