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

literature stripe

Patent stripe

patents stripe