CID 97454

Nsc 124154

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=CC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H14N4O3/c12-9-7-1-2-15(10(7)14-5-13-9)11-8(17)3-6(4-16)18-11/h1-2,5-6,8,11,16-17H,3-4H2,(H2,12,13,14)/t6-,8+,11+/m0/s1
InChIKey
GAKDEQRUZQIUER-FMTFEUNWSA-N
Compound name
(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

25
Patents

250.1066 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 153.0
[M+Na]+ 273.09582 162.7
[M-H]- 249.09932 155.8
[M+NH4]+ 268.14042 168.0
[M+K]+ 289.06976 159.7
[M+H-H2O]+ 233.10386 145.6
[M+HCOO]- 295.10480 171.5
[M+CH3COO]- 309.12045 164.8
[M+Na-2H]- 271.08127 155.6
[M]+ 250.10605 153.0
[M]- 250.10715 153.0
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.