CID 476441

Vkihdvzfvacurd-djldldebsa-n

Structural Information

Molecular Formula
C13H18N8O3
SMILES
CC(C)OC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-])N
InChI
InChI=1S/C13H18N8O3/c1-6(2)23-12-10-11(17-13(14)18-12)21(5-16-10)9-3-7(19-20-15)8(4-22)24-9/h5-9,22H,3-4H2,1-2H3,(H2,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
VKIHDVZFVACURD-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-propan-2-yloxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

334.15018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15746 173.4
[M+Na]+ 357.13940 180.5
[M-H]- 333.14290 179.1
[M+NH4]+ 352.18400 184.0
[M+K]+ 373.11334 173.8
[M+H-H2O]+ 317.14744 167.8
[M+HCOO]- 379.14838 196.8
[M+CH3COO]- 393.16403 213.0
[M+Na-2H]- 355.12485 180.0
[M]+ 334.14963 173.1
[M]- 334.15073 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.