CID 135538675

3'-azddi

Structural Information

Molecular Formula
C10H11N7O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H11N7O3/c11-16-15-5-1-7(20-6(5)2-18)17-4-14-8-9(17)12-3-13-10(8)19/h3-7,18H,1-2H2,(H,12,13,19)/t5-,6+,7+/m0/s1
InChIKey
SEUFIMAGNSSKRT-RRKCRQDMSA-N
Compound name
9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

277.09235 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09963 156.1
[M+Na]+ 300.08157 164.9
[M-H]- 276.08507 160.8
[M+NH4]+ 295.12617 168.7
[M+K]+ 316.05551 157.2
[M+H-H2O]+ 260.08961 151.1
[M+HCOO]- 322.09055 179.8
[M+CH3COO]- 336.10620 194.5
[M+Na-2H]- 298.06702 165.4
[M]+ 277.09180 154.2
[M]- 277.09290 154.2
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