CID 64977

D4dap

Structural Information

Molecular Formula
C10H12N6O2
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H12N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h1-2,4-6,17H,3H2,(H4,11,12,14,15)/t5-,6+/m0/s1
InChIKey
QVRGWJZTKCMSIW-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

248.10217 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10945 152.2
[M+Na]+ 271.09139 163.1
[M-H]- 247.09489 155.2
[M+NH4]+ 266.13599 166.2
[M+K]+ 287.06533 159.8
[M+H-H2O]+ 231.09943 143.7
[M+HCOO]- 293.10037 172.9
[M+CH3COO]- 307.11602 164.3
[M+Na-2H]- 269.07684 156.1
[M]+ 248.10162 152.6
[M]- 248.10272 152.6
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