CID 453684

3'-az-deoxyhexopyranosylt

Structural Information

Molecular Formula
C12H15N5O4
SMILES
CC1C(C2C1(OC(C2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-])O
InChI
InChI=1S/C12H15N5O4/c1-5-4-17(11(20)14-10(5)19)8-3-7-9(18)6(2)12(7,21-8)15-16-13/h4,6-9,18H,3H2,1-2H3,(H,14,19,20)
InChIKey
SQYHIAVXWFALAG-UHFFFAOYSA-N
Compound name
1-(1-azido-6-hydroxy-7-methyl-2-oxabicyclo[3.2.0]heptan-3-yl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11968 160.5
[M+Na]+ 316.10162 167.3
[M-H]- 292.10512 166.7
[M+NH4]+ 311.14622 169.1
[M+K]+ 332.07556 163.6
[M+H-H2O]+ 276.10966 151.8
[M+HCOO]- 338.11060 181.8
[M+CH3COO]- 352.12625 203.0
[M+Na-2H]- 314.08707 167.9
[M]+ 293.11185 167.2
[M]- 293.11295 167.2
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.