CID 460993

Dtxsid701110603

Structural Information

Molecular Formula
C11H13N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H13N5O5/c1-5-2-16(10(19)13-8(5)18)9-6-7(14-15-12)11(3-17,21-9)4-20-6/h2,6-7,9,17H,3-4H2,1H3,(H,13,18,19)/t6-,7+,9-,11+/m1/s1
InChIKey
AOWRUWIBZOODMX-SZVQBCOZSA-N
Compound name
1-[(1S,3R,4R,7S)-7-azido-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

295.09167 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09895 158.6
[M+Na]+ 318.08089 167.2
[M-H]- 294.08439 164.6
[M+NH4]+ 313.12549 174.4
[M+K]+ 334.05483 161.4
[M+H-H2O]+ 278.08893 156.9
[M+HCOO]- 340.08987 181.0
[M+CH3COO]- 354.10552 198.3
[M+Na-2H]- 316.06634 168.4
[M]+ 295.09112 158.8
[M]- 295.09222 158.8
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.