CID 512682

Chembl338477

Structural Information

Molecular Formula
C10H10ClN5O2
SMILES
C1=C[C@H]([C@H]([C@@H]1N2C=NC3=C(N=C(N=C32)Cl)N)O)O
InChI
InChI=1S/C10H10ClN5O2/c11-10-14-8(12)6-9(15-10)16(3-13-6)4-1-2-5(17)7(4)18/h1-5,7,17-18H,(H2,12,14,15)/t4-,5-,7+/m1/s1
InChIKey
FGGWFXXBNGSUIO-XAHCXIQSSA-N
Compound name
(1S,2R,5R)-5-(6-amino-2-chloropurin-9-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.0523 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05958 156.4
[M+Na]+ 290.04152 169.0
[M-H]- 266.04502 157.9
[M+NH4]+ 285.08612 171.8
[M+K]+ 306.01546 163.0
[M+H-H2O]+ 250.04956 148.7
[M+HCOO]- 312.05050 171.2
[M+CH3COO]- 326.06615 168.2
[M+Na-2H]- 288.02697 158.4
[M]+ 267.05175 158.0
[M]- 267.05285 158.0
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

No patent data available for this compound.