CID 11610599

Trabodenoson

Structural Information

Molecular Formula
C15H20N6O6
SMILES
C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[N+](=O)[O-])O)O
InChI
InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
InChIKey
AQLVRTWKJDTWQQ-SDBHATRESA-N
Compound name
[(2R,3S,4R,5R)-5-[6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl nitrate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

228
Patents

380.14444 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15172 180.4
[M+Na]+ 403.13366 188.4
[M+NH4]+ 398.17826 184.0
[M+K]+ 419.10760 195.1
[M-H]- 379.13716 183.4
[M+Na-2H]- 401.11911 181.9
[M]+ 380.14389 181.6
[M]- 380.14499 181.6
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