CID 189165

2'-deoxyaristeromycin

Structural Information

Molecular Formula
C11H15N5O2
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1
InChIKey
FYOMGXDSUXQLPE-PRJMDXOYSA-N
Compound name
(1S,2R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

249.12257 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12985 154.5
[M+Na]+ 272.11179 164.2
[M-H]- 248.11529 155.4
[M+NH4]+ 267.15639 169.5
[M+K]+ 288.08573 159.7
[M+H-H2O]+ 232.11983 146.2
[M+HCOO]- 294.12077 172.4
[M+CH3COO]- 308.13642 165.6
[M+Na-2H]- 270.09724 156.4
[M]+ 249.12202 152.9
[M]- 249.12312 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

literature stripe

Patent stripe

patents stripe