CID 126704

5'-noraristeromycin

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1O)O)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
InChIKey
VFKHECGAEJNAMV-HETMPLHPSA-N
Compound name
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

95
Patents

251.10184 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.9
[M+Na]+ 274.09106 164.3
[M-H]- 250.09456 154.1
[M+NH4]+ 269.13566 168.3
[M+K]+ 290.06500 159.8
[M+H-H2O]+ 234.09910 146.3
[M+HCOO]- 296.10004 170.8
[M+CH3COO]- 310.11569 164.9
[M+Na-2H]- 272.07651 155.3
[M]+ 251.10129 152.1
[M]- 251.10239 152.1
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