CID 72201

2-cdhda

Structural Information

Molecular Formula
C10H10ClN5O2
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)Cl)N
InChI
InChI=1S/C10H10ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h1-2,4-6,17H,3H2,(H2,12,14,15)/t5-,6+/m0/s1
InChIKey
UFRFRMRLLYZQSD-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(6-amino-2-chloropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

267.0523 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05958 156.4
[M+Na]+ 290.04152 168.7
[M-H]- 266.04502 159.2
[M+NH4]+ 285.08612 170.9
[M+K]+ 306.01546 164.3
[M+H-H2O]+ 250.04956 148.1
[M+HCOO]- 312.05050 171.7
[M+CH3COO]- 326.06615 168.5
[M+Na-2H]- 288.02697 159.7
[M]+ 267.05175 159.9
[M]- 267.05285 159.9
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