CID 65269

Aristeromycin

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CO
InChI
InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6-,8-,9+/m1/s1
InChIKey
UGRNVLGKAGREKS-GCXDCGAKSA-N
Compound name
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

75
References

782
Patents

265.1175 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 158.2
[M+Na]+ 288.10672 168.1
[M-H]- 264.11022 158.2
[M+NH4]+ 283.15132 172.0
[M+K]+ 304.08066 163.4
[M+H-H2O]+ 248.11476 150.4
[M+HCOO]- 310.11570 174.7
[M+CH3COO]- 324.13135 168.7
[M+Na-2H]- 286.09217 159.1
[M]+ 265.11695 156.6
[M]- 265.11805 156.6
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