CID 5274114

[(2s,3s,5r)-3-azido-5-(8-methyl-5h-tetrazolo[1,5-c]pyrimidin-6-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C10H14N8O2
SMILES
CC1=CN(CN2C1=NN=N2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H14N8O2/c1-6-3-17(5-18-10(6)13-15-16-18)9-2-7(12-14-11)8(4-19)20-9/h3,7-9,19H,2,4-5H2,1H3/t7-,8+,9+/m0/s1
InChIKey
KMAOGSIDXJFPPC-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(8-methyl-5H-tetrazolo[1,5-c]pyrimidin-6-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12396 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13124 161.0
[M+Na]+ 301.11318 168.3
[M-H]- 277.11668 164.9
[M+NH4]+ 296.15778 172.8
[M+K]+ 317.08712 161.7
[M+H-H2O]+ 261.12122 154.9
[M+HCOO]- 323.12216 181.7
[M+CH3COO]- 337.13781 199.3
[M+Na-2H]- 299.09863 168.4
[M]+ 278.12341 157.8
[M]- 278.12451 157.8
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.